N-(3-aminobutyl)-1H-pyrazole-4-carboxamide

C8H14N4O — CID 63253393

IUPACN-(3-aminobutyl)-1H-pyrazole-4-carboxamide
SMILESCC(N)CCNC(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O/c1-6(9)2-3-10-8(13)7-4-11-12-5-7/h4-6H,2-3,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyPMGFLTMFAYKNOC-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.12
Rot. Bonds4

About N-(3-aminobutyl)-1H-pyrazole-4-carboxamide

N-(3-aminobutyl)-1H-pyrazole-4-carboxamide (PubChem CID 63253393) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(3-aminobutyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1H-pyrazole-4-carboxamide
PubChem CID63253393
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-(3-aminobutyl)-1H-pyrazole-4-carboxamide
SMILESCC(N)CCNC(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O/c1-6(9)2-3-10-8(13)7-4-11-12-5-7/h4-6H,2-3,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyPMGFLTMFAYKNOC-UHFFFAOYSA-N
XLogP-0.12
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-aminobutyl)-1H-pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314
N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide
CID 106156781
N-(3-bromo-4-methoxybutyl)-1H-pyrazole-4-carboxamide
CID 106244861
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
CID 60788161
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
CID 115649315
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844
N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 83115021
N-(6-aminohexyl)-1H-pyrazole-4-carboxamide
CID 107843778
N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
CID 106285778
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1H-pyrazole-4-carboxamide (CID 63253393) is N-(3-aminobutyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1H-pyrazole-4-carboxamide is CC(N)CCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(3-aminobutyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PMGFLTMFAYKNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(9)2-3-10-8(13)7-4-11-12-5-7/h4-6H,2-3,9H2,1H3,(H,10,13)(H,11,12).
What are the key properties of N-(3-aminobutyl)-1H-pyrazole-4-carboxamide?
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide has a molecular weight of 182.23 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63253393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).