N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide

C13H16N4O — CID 60871929

IUPACN-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C13H16N4O/c1-10-8-15-17(9-10)7-6-13(18)16-12-4-2-11(14)3-5-12/h2-5,8-9H,6-7,14H2,1H3,(H,16,18)
InChIKeyJWWZCXFOGFNVAJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.80
Rot. Bonds4

About N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide

N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 60871929) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID60871929
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C13H16N4O/c1-10-8-15-17(9-10)7-6-13(18)16-12-4-2-11(14)3-5-12/h2-5,8-9H,6-7,14H2,1H3,(H,16,18)
InChIKeyJWWZCXFOGFNVAJ-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873846
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
N-(5-amino-2-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874213
N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87046604
1-[3-(4-acetamidoanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482893
N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 87044969
3-(4-methylpyrazol-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 86830001
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 99637161
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215
3-(4-methylpyrazol-1-yl)-N-[4-[[(2R)-oxan-2-yl]methoxy]phenyl]propanamide
CID 164641994

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide (CID 60871929) is N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)Nc2ccc(N)cc2)c1.
What is the InChIKey of N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is JWWZCXFOGFNVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-8-15-17(9-10)7-6-13(18)16-12-4-2-11(14)3-5-12/h2-5,8-9H,6-7,14H2,1H3,(H,16,18).
What are the key properties of N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 60871929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).