N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide

C20H21ClN4O — CID 24628215

IUPACN-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O/c1-13-19(15(3)25(24-13)18-7-5-4-6-8-18)22-14(2)20(26)23-17-11-9-16(21)10-12-17/h4-12,14,22H,1-3H3,(H,23,26)
InChIKeyDIPMDCJHBOPFIP-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.58
Rot. Bonds5

About N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide

N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide (PubChem CID 24628215) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
PubChem CID24628215
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O/c1-13-19(15(3)25(24-13)18-7-5-4-6-8-18)22-14(2)20(26)23-17-11-9-16(21)10-12-17/h4-12,14,22H,1-3H3,(H,23,26)
InChIKeyDIPMDCJHBOPFIP-UHFFFAOYSA-N
XLogP4.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94615289
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 16575388
N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 51338271
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9334963
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide
CID 134033635
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium
CID 9334966
N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide
CID 24510665
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 134033637
[1-(4-chloroanilino)-1-oxopropan-2-yl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 4559061

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide (CID 24628215) is N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide is Cc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide?
The InChIKey is DIPMDCJHBOPFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-13-19(15(3)25(24-13)18-7-5-4-6-8-18)22-14(2)20(26)23-17-11-9-16(21)10-12-17/h4-12,14,22H,1-3H3,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide?
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide has a molecular weight of 368.87 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide is sourced from PubChem (CID 24628215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).