2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide

C14H16N4O — CID 63338058

IUPAC2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide
SMILESNc1cccc(-c2cnn(CC(=O)NC3CC3)c2)c1
InChIInChI=1S/C14H16N4O/c15-12-3-1-2-10(6-12)11-7-16-18(8-11)9-14(19)17-13-4-5-13/h1-3,6-8,13H,4-5,9,15H2,(H,17,19)
InChIKeyZSMBSJBOBYUSGP-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.41
Rot. Bonds4

About 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide

2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide (PubChem CID 63338058) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide
PubChem CID63338058
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide
SMILESNc1cccc(-c2cnn(CC(=O)NC3CC3)c2)c1
InChIInChI=1S/C14H16N4O/c15-12-3-1-2-10(6-12)11-7-16-18(8-11)9-14(19)17-13-4-5-13/h1-3,6-8,13H,4-5,9,15H2,(H,17,19)
InChIKeyZSMBSJBOBYUSGP-UHFFFAOYSA-N
XLogP1.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide (CID 63338058) is 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide is Nc1cccc(-c2cnn(CC(=O)NC3CC3)c2)c1.
What is the InChIKey of 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide?
The InChIKey is ZSMBSJBOBYUSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-12-3-1-2-10(6-12)11-7-16-18(8-11)9-14(19)17-13-4-5-13/h1-3,6-8,13H,4-5,9,15H2,(H,17,19).
What are the key properties of 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide?
2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide has a molecular weight of 256.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 63338058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).