N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide

C19H26N4O — CID 119049040

IUPACN-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide
SMILESCCc1c(NC(=O)N2CCCCCC2)cnn1-c1cccc(C)c1
InChIInChI=1S/C19H26N4O/c1-3-18-17(21-19(24)22-11-6-4-5-7-12-22)14-20-23(18)16-10-8-9-15(2)13-16/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,21,24)
InChIKeyRCNKHTOVWMKHDD-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.15
Rot. Bonds3

About N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide

N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide (PubChem CID 119049040) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide
PubChem CID119049040
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide
SMILESCCc1c(NC(=O)N2CCCCCC2)cnn1-c1cccc(C)c1
InChIInChI=1S/C19H26N4O/c1-3-18-17(21-19(24)22-11-6-4-5-7-12-22)14-20-23(18)16-10-8-9-15(2)13-16/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,21,24)
InChIKeyRCNKHTOVWMKHDD-UHFFFAOYSA-N
XLogP4.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
CID 2807997
1,3-diethyl-5-[1-(3-methylphenyl)-1H-pyrazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647075
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
N-(3,5-dimethylphenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812810
5-[4-(4-methylpiperazino)phenyl]-N-phenyl-1H-pyrazole-1-carboxamide
CID 4264966
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
N-[3-(trifluoromethyl)phenyl]-N'-(1,3,5-trimethyl-1H-pyrazol-4-yl)urea
CID 970204
4-{[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}-1,4-diazepane-1-carbaldehyde
CID 16189194
4-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1,4-diazepane-1-carbaldehyde
CID 16190404

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide?
The IUPAC name of N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide (CID 119049040) is N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide.
What is the SMILES notation for N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide?
The canonical SMILES for N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide is CCc1c(NC(=O)N2CCCCCC2)cnn1-c1cccc(C)c1.
What is the InChIKey of N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide?
The InChIKey is RCNKHTOVWMKHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-18-17(21-19(24)22-11-6-4-5-7-12-22)14-20-23(18)16-10-8-9-15(2)13-16/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide?
N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide is sourced from PubChem (CID 119049040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).