N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide

C10H16ClN3O — CID 106156781

IUPACN-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide
SMILESCC(CCl)CCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H16ClN3O/c1-8(5-11)3-2-4-12-10(15)9-6-13-14-7-9/h6-8H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyXLAMYQIUVPRRDR-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.79
Rot. Bonds6

About N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide

N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide (PubChem CID 106156781) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide
PubChem CID106156781
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide
SMILESCC(CCl)CCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H16ClN3O/c1-8(5-11)3-2-4-12-10(15)9-6-13-14-7-9/h6-8H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyXLAMYQIUVPRRDR-UHFFFAOYSA-N
XLogP1.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chlorohexyl)-1H-pyrazole-4-carboxamide
CID 107846522
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-carboxamide
CID 61037227
N-(3-bromo-4-methoxybutyl)-1H-pyrazole-4-carboxamide
CID 106244861
N-(6-aminohexyl)-1H-pyrazole-4-carboxamide
CID 107843778
N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
CID 60788161
N-(5-chloro-4-methylpentyl)-3-methylimidazole-4-carboxamide
CID 106156832
N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
CID 106156836
3-bromo-N-(5-chloro-4-methylpentyl)benzamide
CID 106157091

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide (CID 106156781) is N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide is CC(CCl)CCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide?
The InChIKey is XLAMYQIUVPRRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8(5-11)3-2-4-12-10(15)9-6-13-14-7-9/h6-8H,2-5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide?
N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 106156781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).