N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane

C20H30FN5O — CID 166112906

IUPACN-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane
SMILESCC.CC1(C)Cc2[nH]nc(C(=O)Nc3cnn(C4CCC4)c3)c2CC1(C)F
InChIInChI=1S/C18H24FN5O.C2H6/c1-17(2)8-14-13(7-18(17,3)19)15(23-22-14)16(25)21-11-9-20-24(10-11)12-5-4-6-12;1-2/h9-10,12H,4-8H2,1-3H3,(H,21,25)(H,22,23);1-2H3
InChIKeyWZDYTOYKAPSTPZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.46
Rot. Bonds3

About N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane

N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane (PubChem CID 166112906) has the molecular formula C20H30FN5O and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane
PubChem CID166112906
Molecular FormulaC20H30FN5O
Molecular Weight375.49 g/mol
Exact Mass375.24
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane
SMILESCC.CC1(C)Cc2[nH]nc(C(=O)Nc3cnn(C4CCC4)c3)c2CC1(C)F
InChIInChI=1S/C18H24FN5O.C2H6/c1-17(2)8-14-13(7-18(17,3)19)15(23-22-14)16(25)21-11-9-20-24(10-11)12-5-4-6-12;1-2/h9-10,12H,4-8H2,1-3H3,(H,21,25)(H,22,23);1-2H3
InChIKeyWZDYTOYKAPSTPZ-UHFFFAOYSA-N
XLogP4.46
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide
CID 166112907
(4aS,5aR)-N-[1-(azetidin-3-yl)pyrazol-4-yl]-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 167190125
tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 166113689
(4aS,5aR)-N-[1-[1-[4-[[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]oxy]cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 175819440
(4aS,5aR)-N-[1-[4-[[4-[[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]oxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 175819394
(4aS,5aR)-N-[1-[1-[[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 175819479
N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 175641935
N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide
CID 162373742
6,6-dimethyl-N-[1-[(1-methylsulfonylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037409
6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 73293239
6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 123514496
3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 107520067

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane (CID 166112906) is N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane is CC.CC1(C)Cc2[nH]nc(C(=O)Nc3cnn(C4CCC4)c3)c2CC1(C)F.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane?
The InChIKey is WZDYTOYKAPSTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O.C2H6/c1-17(2)8-14-13(7-18(17,3)19)15(23-22-14)16(25)21-11-9-20-24(10-11)12-5-4-6-12;1-2/h9-10,12H,4-8H2,1-3H3,(H,21,25)(H,22,23);1-2H3.
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane?
N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane has a molecular weight of 375.49 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane is sourced from PubChem (CID 166112906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).