N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide

C13H15ClN4O — CID 60873846

IUPACN-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C13H15ClN4O/c1-9-7-16-18(8-9)5-4-13(19)17-10-2-3-11(14)12(15)6-10/h2-3,6-8H,4-5,15H2,1H3,(H,17,19)
InChIKeyYKAYLIXVDPBXNR-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.46
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide

N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 60873846) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID60873846
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC NameN-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C13H15ClN4O/c1-9-7-16-18(8-9)5-4-13(19)17-10-2-3-11(14)12(15)6-10/h2-3,6-8H,4-5,15H2,1H3,(H,17,19)
InChIKeyYKAYLIXVDPBXNR-UHFFFAOYSA-N
XLogP2.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 54909881
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872125
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928
3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561665
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 29053524
1-[3-(3,4-dichloroanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482906
N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide
CID 62351961
N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide (CID 60873846) is N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)Nc2ccc(Cl)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is YKAYLIXVDPBXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9-7-16-18(8-9)5-4-13(19)17-10-2-3-11(14)12(15)6-10/h2-3,6-8H,4-5,15H2,1H3,(H,17,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 278.74 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 60873846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).