2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide

C31H35N5O3 — CID 4241295

IUPAC2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
SMILESCCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(OC)cc1)C(=O)Nc1cccc(CC)c1
InChIInChI=1S/C31H35N5O3/c1-5-19-35(31(38)32-25-14-10-11-23(6-2)20-25)21-28(37)33-30-29(24-12-8-7-9-13-24)22(3)34-36(30)26-15-17-27(39-4)18-16-26/h7-18,20H,5-6,19,21H2,1-4H3,(H,32,38)(H,33,37)
InChIKeyASVSBZVARCHTKF-UHFFFAOYSA-N
MW525.65 g/mol
LogP6.30
Rot. Bonds10

About 2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide

2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide (PubChem CID 4241295) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is 2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
PubChem CID4241295
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC Name2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
SMILESCCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(OC)cc1)C(=O)Nc1cccc(CC)c1
InChIInChI=1S/C31H35N5O3/c1-5-19-35(31(38)32-25-14-10-11-23(6-2)20-25)21-28(37)33-30-29(24-12-8-7-9-13-24)22(3)34-36(30)26-15-17-27(39-4)18-16-26/h7-18,20H,5-6,19,21H2,1-4H3,(H,32,38)(H,33,37)
InChIKeyASVSBZVARCHTKF-UHFFFAOYSA-N
XLogP6.30
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
CID 3898476
2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 4648243
N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 1056480
2-[(2-bromophenyl)carbamoyl-butylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
CID 3925296
N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 1056550
N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 4001661
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-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
CID 1056466
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]acetamide
CID 3458566
N-butyl-2,4-dichloro-N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 4237836
N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 1056457
ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
CID 4253936

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide (CID 4241295) is 2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide is CCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(OC)cc1)C(=O)Nc1cccc(CC)c1.
What is the InChIKey of 2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide?
The InChIKey is ASVSBZVARCHTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-5-19-35(31(38)32-25-14-10-11-23(6-2)20-25)21-28(37)33-30-29(24-12-8-7-9-13-24)22(3)34-36(30)26-15-17-27(39-4)18-16-26/h7-18,20H,5-6,19,21H2,1-4H3,(H,32,38)(H,33,37).
What are the key properties of 2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide?
2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide has a molecular weight of 525.65 g/mol, XLogP of 6.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 4241295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).