1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine

C122H154N16O3 — CID 158502961

IUPAC1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine
SMILESCC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cccc2[nH]ncc12.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(-c2cccnc2)c1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H21NO2.C15H16.C14H19N.C13H16N2.2C11H13N3.C11H14N2.C11H12O.C10H12N2.C10H18N2/c1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-8(2)9-6-11-12(7-9)10(3,4)5/h6-11H,1-5H3;3-12H,1-2H3;5-11H,1-4H3;3-8,10-11H,9H2,1-2H3;2*3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);6-8H,1-5H3
InChIKeyHKCUFOIGCRGNKE-UHFFFAOYSA-N
MW1892.68 g/mol
LogP32.91
Rot. Bonds16

About 1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine

1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine (PubChem CID 158502961) has the molecular formula C122H154N16O3 and a molecular weight of 1892.68 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine
PubChem CID158502961
Molecular FormulaC122H154N16O3
Molecular Weight1892.68 g/mol
Exact Mass1891.24
IUPAC Name1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine
SMILESCC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cccc2[nH]ncc12.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(-c2cccnc2)c1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H21NO2.C15H16.C14H19N.C13H16N2.2C11H13N3.C11H14N2.C11H12O.C10H12N2.C10H18N2/c1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-8(2)9-6-11-12(7-9)10(3,4)5/h6-11H,1-5H3;3-12H,1-2H3;5-11H,1-4H3;3-8,10-11H,9H2,1-2H3;2*3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);6-8H,1-5H3
InChIKeyHKCUFOIGCRGNKE-UHFFFAOYSA-N
XLogP32.91
TPSA192.86 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001892.68
LogP ≤ 532.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine with MolForge

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Related Compounds

6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;methane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 157938251
1-[5-[7-fluoro-4-[3-[3-[7-fluoro-2-[4-(5-fluoro-2-pyridinyl)-1,4-diazepane-1-carbonyl]-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-4-methoxyphenyl]-2-methoxyphenyl]-2-(2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177172173
N,N-diethyl-6-[6-[2-[[2-[2-(ethylcarbamoyl)-1H-indol-5-yl]pyrimidin-4-yl]amino]-5-(1H-pyrazol-4-yl)phenyl]-4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137387851
4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole
CID 141113485
2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole
CID 141390057
2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole
CID 141390059
2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline
CID 141434638
3-Dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
CID 145088649
5-[4-Dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole
CID 146250425
5-[4-Dibenzofuran-2-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 146250432
5-[4-Dibenzofuran-2-yl-3-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-2-pyridinyl]pyrido[4,3-b]indole
CID 151735253
5-[4-Dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole
CID 151990198

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
The IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine (CID 158502961) is 1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine.
What is the SMILES notation for 1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
The canonical SMILES for 1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine is CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cccc2[nH]ncc12.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(-c2cccnc2)c1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
The InChIKey is HKCUFOIGCRGNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.C15H16.C14H19N.C13H16N2.2C11H13N3.C11H14N2.C11H12O.C10H12N2.C10H18N2/c1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-8(2)9-6-11-12(7-9)10(3,4)5/h6-11H,1-5H3;3-12H,1-2H3;5-11H,1-4H3;3-8,10-11H,9H2,1-2H3;2*3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);6-8H,1-5H3.
What are the key properties of 1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine has a molecular weight of 1892.68 g/mol, XLogP of 32.91, 16 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-ylpyrazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)indole;1-methyl-5-propan-2-ylindazole;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine is sourced from PubChem (CID 158502961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).