N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide

C10H16ClN3O — CID 107205772

IUPACN-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(CCCCCCl)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H16ClN3O/c1-14(6-4-2-3-5-11)10(15)9-7-12-13-8-9/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyRADVTYCVBMKLDJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.89
Rot. Bonds6

About N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide

N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 107205772) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID107205772
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(CCCCCCl)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H16ClN3O/c1-14(6-4-2-3-5-11)10(15)9-7-12-13-8-9/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyRADVTYCVBMKLDJ-UHFFFAOYSA-N
XLogP1.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.89
H-Bond Donors ≤ 51
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-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 63701216
4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43565635
N-(6-chlorohexyl)-1H-pyrazole-4-carboxamide
CID 107846522
N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 60959519
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
CID 107205814
N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 107205827
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 43533016
N-(2-bromo-3-methoxypropyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 80671538
N-(furan-3-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 61151195

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide (CID 107205772) is N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide is CN(CCCCCCl)C(=O)c1cn[nH]c1.
What is the InChIKey of N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is RADVTYCVBMKLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-14(6-4-2-3-5-11)10(15)9-7-12-13-8-9/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide?
N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107205772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).