3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide

C13H23N5O — CID 64524238

IUPAC3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C13H23N5O/c1-10-3-7-18(8-4-10)6-2-5-15-13(19)11-9-12(14)17-16-11/h9-10H,2-8H2,1H3,(H,15,19)(H3,14,16,17)
InChIKeyATLJAPWAAHBHJY-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.84
Rot. Bonds5

About 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide

3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524238) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID64524238
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C13H23N5O/c1-10-3-7-18(8-4-10)6-2-5-15-13(19)11-9-12(14)17-16-11/h9-10H,2-8H2,1H3,(H,15,19)(H3,14,16,17)
InChIKeyATLJAPWAAHBHJY-UHFFFAOYSA-N
XLogP0.84
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-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 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide (CID 64524238) is 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide is CC1CCN(CCCNC(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ATLJAPWAAHBHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-3-7-18(8-4-10)6-2-5-15-13(19)11-9-12(14)17-16-11/h9-10H,2-8H2,1H3,(H,15,19)(H3,14,16,17).
What are the key properties of 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).