1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide

C14H18N4O — CID 112678365

IUPAC1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCCC(N)c1ccccc1-n1ccc(C(=O)NC)n1
InChIInChI=1S/C14H18N4O/c1-3-11(15)10-6-4-5-7-13(10)18-9-8-12(17-18)14(19)16-2/h4-9,11H,3,15H2,1-2H3,(H,16,19)
InChIKeyCTDXFGMPHSQBKD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.64
Rot. Bonds4

About 1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide

1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 112678365) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide
PubChem CID112678365
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCCC(N)c1ccccc1-n1ccc(C(=O)NC)n1
InChIInChI=1S/C14H18N4O/c1-3-11(15)10-6-4-5-7-13(10)18-9-8-12(17-18)14(19)16-2/h4-9,11H,3,15H2,1-2H3,(H,16,19)
InChIKeyCTDXFGMPHSQBKD-UHFFFAOYSA-N
XLogP1.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-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-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide (CID 112678365) is 1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide is CCC(N)c1ccccc1-n1ccc(C(=O)NC)n1.
What is the InChIKey of 1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is CTDXFGMPHSQBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-11(15)10-6-4-5-7-13(10)18-9-8-12(17-18)14(19)16-2/h4-9,11H,3,15H2,1-2H3,(H,16,19).
What are the key properties of 1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide?
1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 112678365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).