N-(6-aminohexyl)-1H-pyrazole-4-carboxamide

C10H18N4O — CID 107843778

IUPACN-(6-aminohexyl)-1H-pyrazole-4-carboxamide
SMILESNCCCCCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H18N4O/c11-5-3-1-2-4-6-12-10(15)9-7-13-14-8-9/h7-8H,1-6,11H2,(H,12,15)(H,13,14)
InChIKeyFGVXCHYWFRMNFO-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.66
Rot. Bonds7

About N-(6-aminohexyl)-1H-pyrazole-4-carboxamide

N-(6-aminohexyl)-1H-pyrazole-4-carboxamide (PubChem CID 107843778) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(6-aminohexyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-1H-pyrazole-4-carboxamide
PubChem CID107843778
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(6-aminohexyl)-1H-pyrazole-4-carboxamide
SMILESNCCCCCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H18N4O/c11-5-3-1-2-4-6-12-10(15)9-7-13-14-8-9/h7-8H,1-6,11H2,(H,12,15)(H,13,14)
InChIKeyFGVXCHYWFRMNFO-UHFFFAOYSA-N
XLogP0.66
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.66
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

N-(6-chlorohexyl)-1H-pyrazole-4-carboxamide
CID 107846522
N-hex-5-ynyl-1H-pyrazole-4-carboxamide
CID 103757880
N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-carboxamide
CID 115491628
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
CID 60788161
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-carboxamide
CID 61037227
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide
CID 106156781
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 83115021
2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid
CID 79469118
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77094251
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(6-aminohexyl)-1H-pyrazole-4-carboxamide (CID 107843778) is N-(6-aminohexyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-1H-pyrazole-4-carboxamide is NCCCCCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(6-aminohexyl)-1H-pyrazole-4-carboxamide?
The InChIKey is FGVXCHYWFRMNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c11-5-3-1-2-4-6-12-10(15)9-7-13-14-8-9/h7-8H,1-6,11H2,(H,12,15)(H,13,14).
What are the key properties of N-(6-aminohexyl)-1H-pyrazole-4-carboxamide?
N-(6-aminohexyl)-1H-pyrazole-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107843778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).