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

C15H18N4O — CID 63338279

IUPAC3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide
SMILESNc1cccc(-c2cnn(CCC(=O)NC3CC3)c2)c1
InChIInChI=1S/C15H18N4O/c16-13-3-1-2-11(8-13)12-9-17-19(10-12)7-6-15(20)18-14-4-5-14/h1-3,8-10,14H,4-7,16H2,(H,18,20)
InChIKeyIPXMBZWNSQTSAW-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.80
Rot. Bonds5

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

3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide (PubChem CID 63338279) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide
PubChem CID63338279
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide
SMILESNc1cccc(-c2cnn(CCC(=O)NC3CC3)c2)c1
InChIInChI=1S/C15H18N4O/c16-13-3-1-2-11(8-13)12-9-17-19(10-12)7-6-15(20)18-14-4-5-14/h1-3,8-10,14H,4-7,16H2,(H,18,20)
InChIKeyIPXMBZWNSQTSAW-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.80
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 3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide (CID 63338279) is 3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide is Nc1cccc(-c2cnn(CCC(=O)NC3CC3)c2)c1.
What is the InChIKey of 3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide?
The InChIKey is IPXMBZWNSQTSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-13-3-1-2-11(8-13)12-9-17-19(10-12)7-6-15(20)18-14-4-5-14/h1-3,8-10,14H,4-7,16H2,(H,18,20).
What are the key properties of 3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide?
3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide has a molecular weight of 270.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 63338279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).