1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide

C13H16N4O — CID 113358878

IUPAC1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide
SMILESCC[C@H](N)c1ccccc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C13H16N4O/c1-2-10(14)9-5-3-4-6-12(9)17-8-7-11(16-17)13(15)18/h3-8,10H,2,14H2,1H3,(H2,15,18)/t10-/m0/s1
InChIKeyAUDBJKBZUJIFFW-JTQLQIEISA-N
MW244.30 g/mol
LogP1.38
Rot. Bonds4

About 1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide

1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide (PubChem CID 113358878) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide
PubChem CID113358878
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide
SMILESCC[C@H](N)c1ccccc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C13H16N4O/c1-2-10(14)9-5-3-4-6-12(9)17-8-7-11(16-17)13(15)18/h3-8,10H,2,14H2,1H3,(H2,15,18)/t10-/m0/s1
InChIKeyAUDBJKBZUJIFFW-JTQLQIEISA-N
XLogP1.38
TPSA86.93 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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide (CID 113358878) is 1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide is CC[C@H](N)c1ccccc1-n1ccc(C(N)=O)n1.
What is the InChIKey of 1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is AUDBJKBZUJIFFW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-10(14)9-5-3-4-6-12(9)17-8-7-11(16-17)13(15)18/h3-8,10H,2,14H2,1H3,(H2,15,18)/t10-/m0/s1.
What are the key properties of 1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide?
1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 113358878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).