3-amino-N-pentyl-1H-pyrazole-5-carboxamide

C9H16N4O — CID 64525391

IUPAC3-amino-N-pentyl-1H-pyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H16N4O/c1-2-3-4-5-11-9(14)7-6-8(10)13-12-7/h6H,2-5H2,1H3,(H,11,14)(H3,10,12,13)
InChIKeyHBDLDJJJOFAASF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.91
Rot. Bonds5

About 3-amino-N-pentyl-1H-pyrazole-5-carboxamide

3-amino-N-pentyl-1H-pyrazole-5-carboxamide (PubChem CID 64525391) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-N-pentyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-pentyl-1H-pyrazole-5-carboxamide
PubChem CID64525391
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-N-pentyl-1H-pyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H16N4O/c1-2-3-4-5-11-9(14)7-6-8(10)13-12-7/h6H,2-5H2,1H3,(H,11,14)(H3,10,12,13)
InChIKeyHBDLDJJJOFAASF-UHFFFAOYSA-N
XLogP0.91
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125
3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
CID 106233227
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 64524226
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 64524098
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 114464789
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523251
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 64524298
3-amino-N-(2-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523051
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide
CID 114163943

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pentyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-pentyl-1H-pyrazole-5-carboxamide (CID 64525391) is 3-amino-N-pentyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-pentyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-pentyl-1H-pyrazole-5-carboxamide is CCCCCNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-pentyl-1H-pyrazole-5-carboxamide?
The InChIKey is HBDLDJJJOFAASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-3-4-5-11-9(14)7-6-8(10)13-12-7/h6H,2-5H2,1H3,(H,11,14)(H3,10,12,13).
What are the key properties of 3-amino-N-pentyl-1H-pyrazole-5-carboxamide?
3-amino-N-pentyl-1H-pyrazole-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pentyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).