N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide

C14H18N4O — CID 60871928

IUPACN-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
SMILESCc1cnn(CCCC(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C14H18N4O/c1-11-9-16-18(10-11)8-2-3-14(19)17-13-6-4-12(15)5-7-13/h4-7,9-10H,2-3,8,15H2,1H3,(H,17,19)
InChIKeyCNNSBNSNHRPXSP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds5

About N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide

N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide (PubChem CID 60871928) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
PubChem CID60871928
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
SMILESCc1cnn(CCCC(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C14H18N4O/c1-11-9-16-18(10-11)8-2-3-14(19)17-13-6-4-12(15)5-7-13/h4-7,9-10H,2-3,8,15H2,1H3,(H,17,19)
InChIKeyCNNSBNSNHRPXSP-UHFFFAOYSA-N
XLogP2.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.19
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'}

Analyze N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
4-(4-methylpyrazol-1-yl)butanehydrazide
CID 63578152
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide
CID 100830593
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-[3-(hydroxymethyl)-2-methylphenyl]-4-(4-methylpyrazol-1-yl)butanamide
CID 166372447
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 1259508
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
N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872125
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide?
The IUPAC name of N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide (CID 60871928) is N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide is Cc1cnn(CCCC(=O)Nc2ccc(N)cc2)c1.
What is the InChIKey of N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide?
The InChIKey is CNNSBNSNHRPXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-9-16-18(10-11)8-2-3-14(19)17-13-6-4-12(15)5-7-13/h4-7,9-10H,2-3,8,15H2,1H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide?
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide has a molecular weight of 258.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 60871928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).