N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide

C29H36N4O2 — CID 1056436

IUPACN-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide
SMILESCc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CN(CC(C)C)C(=O)C2CCCC2)cc1
InChIInChI=1S/C29H36N4O2/c1-20(2)18-32(29(35)24-12-8-9-13-24)19-26(34)30-28-27(23-10-6-5-7-11-23)22(4)31-33(28)25-16-14-21(3)15-17-25/h5-7,10-11,14-17,20,24H,8-9,12-13,18-19H2,1-4H3,(H,30,34)
InChIKeySKKAMOIDLZUREN-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.77
Rot. Bonds8

About N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide

N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide (PubChem CID 1056436) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide
PubChem CID1056436
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide
SMILESCc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CN(CC(C)C)C(=O)C2CCCC2)cc1
InChIInChI=1S/C29H36N4O2/c1-20(2)18-32(29(35)24-12-8-9-13-24)19-26(34)30-28-27(23-10-6-5-7-11-23)22(4)31-33(28)25-16-14-21(3)15-17-25/h5-7,10-11,14-17,20,24H,8-9,12-13,18-19H2,1-4H3,(H,30,34)
InChIKeySKKAMOIDLZUREN-UHFFFAOYSA-N
XLogP5.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 1060914
N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 1056480
N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 1056433
4-tert-butyl-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3925295
2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
CID 1056546
N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 1056550
N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42734974
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 4011810
2-[(3-chloro-4-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3977163
N-cyclohexyl-N'-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]butanediamide
CID 5186742
4-methyl-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4656985
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42732235

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
The IUPAC name of N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide (CID 1056436) is N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
The canonical SMILES for N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide is Cc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CN(CC(C)C)C(=O)C2CCCC2)cc1.
What is the InChIKey of N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
The InChIKey is SKKAMOIDLZUREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-20(2)18-32(29(35)24-12-8-9-13-24)19-26(34)30-28-27(23-10-6-5-7-11-23)22(4)31-33(28)25-16-14-21(3)15-17-25/h5-7,10-11,14-17,20,24H,8-9,12-13,18-19H2,1-4H3,(H,30,34).
What are the key properties of N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide?
N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide has a molecular weight of 472.63 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide is sourced from PubChem (CID 1056436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).