2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide

C18H17ClN4O — CID 46900279

IUPAC2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESNC(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H17ClN4O/c19-15-5-1-12(2-6-15)9-17(20)18(24)23-16-7-3-13(4-8-16)14-10-21-22-11-14/h1-8,10-11,17H,9,20H2,(H,21,22)(H,23,24)
InChIKeyFGYJTOWYYAFSCE-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.24
Rot. Bonds5

About 2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide

2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide (PubChem CID 46900279) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
PubChem CID46900279
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESNC(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H17ClN4O/c19-15-5-1-12(2-6-15)9-17(20)18(24)23-16-7-3-13(4-8-16)14-10-21-22-11-14/h1-8,10-11,17H,9,20H2,(H,21,22)(H,23,24)
InChIKeyFGYJTOWYYAFSCE-UHFFFAOYSA-N
XLogP3.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-2-(4-chlorophenyl)-acetamide
CID 46900281
(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
1-[(3-chlorophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565840
N-(4-(1H-Pyrazol-4-yl)phenyl)-3-phenylpropanamide
CID 70896884
3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118239017
3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118239053
2-[(1R)-1-amino-2-(4-chlorophenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 135894358
2-[(1S)-1-amino-2-(4-chlorophenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136218656
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 24793170
US11479533, Example 12
CID 137425585
US11479533, Example 15
CID 137425587
US11479533, Example 19
CID 137425598

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide (CID 46900279) is 2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide is NC(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The InChIKey is FGYJTOWYYAFSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-15-5-1-12(2-6-15)9-17(20)18(24)23-16-7-3-13(4-8-16)14-10-21-22-11-14/h1-8,10-11,17H,9,20H2,(H,21,22)(H,23,24).
What are the key properties of 2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide has a molecular weight of 340.81 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 46900279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).