3-amino-N-hexylpyrazole-1-carboxamide

C10H18N4O — CID 134862016

IUPAC3-amino-N-hexylpyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1ccc(N)n1
InChIInChI=1S/C10H18N4O/c1-2-3-4-5-7-12-10(15)14-8-6-9(11)13-14/h6,8H,2-5,7H2,1H3,(H2,11,13)(H,12,15)
InChIKeySQCNIOIYMXXPJP-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.60
Rot. Bonds5

About 3-amino-N-hexylpyrazole-1-carboxamide

3-amino-N-hexylpyrazole-1-carboxamide (PubChem CID 134862016) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-N-hexylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-hexylpyrazole-1-carboxamide
PubChem CID134862016
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-amino-N-hexylpyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1ccc(N)n1
InChIInChI=1S/C10H18N4O/c1-2-3-4-5-7-12-10(15)14-8-6-9(11)13-14/h6,8H,2-5,7H2,1H3,(H2,11,13)(H,12,15)
InChIKeySQCNIOIYMXXPJP-UHFFFAOYSA-N
XLogP1.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-hexylpyrazole-1-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

N-pentylpyrazole-1-carboxamide
CID 134846837
3-N-(4-bromophenyl)-1-N-butylpyrazole-1,3-dicarboxamide
CID 3591431
N-octadec-9-enylimidazole-1-carboxamide
CID 54037396
2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19536880
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
3-amino-N-hexyl-1,2,4-triazole-1-carbothioamide
CID 10823193
N-hexyl-3,5-dipropylpyrazole-1-carboxamide
CID 134846480
N-hexyl-3-oxo-1H-pyrazole-2-carboxamide
CID 134846786
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
3,4-diamino-N-dodecylbenzamide
CID 22411166
3-amino-N-hexylpyrazine-2-carboxamide
CID 32647019

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexylpyrazole-1-carboxamide?
The IUPAC name of 3-amino-N-hexylpyrazole-1-carboxamide (CID 134862016) is 3-amino-N-hexylpyrazole-1-carboxamide.
What is the SMILES notation for 3-amino-N-hexylpyrazole-1-carboxamide?
The canonical SMILES for 3-amino-N-hexylpyrazole-1-carboxamide is CCCCCCNC(=O)n1ccc(N)n1.
What is the InChIKey of 3-amino-N-hexylpyrazole-1-carboxamide?
The InChIKey is SQCNIOIYMXXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-3-4-5-7-12-10(15)14-8-6-9(11)13-14/h6,8H,2-5,7H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of 3-amino-N-hexylpyrazole-1-carboxamide?
3-amino-N-hexylpyrazole-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hexylpyrazole-1-carboxamide is sourced from PubChem (CID 134862016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).