N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide

C31H34N4O2 — CID 3966020

IUPACN-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
SMILESCCC(C(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1)C(C)C)c1ccccc1
InChIInChI=1S/C31H34N4O2/c1-5-27(24-12-8-6-9-13-24)31(37)34(22(2)3)21-30(36)32-29-20-28(25-14-10-7-11-15-25)33-35(29)26-18-16-23(4)17-19-26/h6-20,22,27H,5,21H2,1-4H3,(H,32,36)
InChIKeyKFRKUFWPVKOMQX-UHFFFAOYSA-N
MW494.64 g/mol
LogP6.22
Rot. Bonds9

About N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide

N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide (PubChem CID 3966020) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
PubChem CID3966020
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC NameN-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
SMILESCCC(C(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1)C(C)C)c1ccccc1
InChIInChI=1S/C31H34N4O2/c1-5-27(24-12-8-6-9-13-24)31(37)34(22(2)3)21-30(36)32-29-20-28(25-14-10-7-11-15-25)33-35(29)26-18-16-23(4)17-19-26/h6-20,22,27H,5,21H2,1-4H3,(H,32,36)
InChIKeyKFRKUFWPVKOMQX-UHFFFAOYSA-N
XLogP6.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
CID 92514798
4-methyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4669802
3,5-dichloro-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3489413
(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide
CID 92514790
4-tert-butyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 5007757
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 1060886
2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 42741085
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42732023
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 42741095
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 4302893
N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[phenylcarbamoyl(propan-2-yl)amino]acetamide
CID 42732765

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide (CID 3966020) is N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide is CCC(C(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1)C(C)C)c1ccccc1.
What is the InChIKey of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide?
The InChIKey is KFRKUFWPVKOMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-5-27(24-12-8-6-9-13-24)31(37)34(22(2)3)21-30(36)32-29-20-28(25-14-10-7-11-15-25)33-35(29)26-18-16-23(4)17-19-26/h6-20,22,27H,5,21H2,1-4H3,(H,32,36).
What are the key properties of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide?
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide has a molecular weight of 494.64 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 3966020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).