N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide

C18H21ClF2N4O — CID 131963809

IUPACN-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide
SMILESCCc1c(NC(=O)N2CCCC(F)(F)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClF2N4O/c1-2-16-15(12-22-25(16)14-6-4-13(19)5-7-14)23-17(26)24-10-3-8-18(20,21)9-11-24/h4-7,12H,2-3,8-11H2,1H3,(H,23,26)
InChIKeyUWIOJRPSBFCPMF-UHFFFAOYSA-N
MW382.84 g/mol
LogP4.74
Rot. Bonds3

About N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide

N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide (PubChem CID 131963809) has the molecular formula C18H21ClF2N4O and a molecular weight of 382.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide
PubChem CID131963809
Molecular FormulaC18H21ClF2N4O
Molecular Weight382.84 g/mol
Exact Mass382.14
IUPAC NameN-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide
SMILESCCc1c(NC(=O)N2CCCC(F)(F)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClF2N4O/c1-2-16-15(12-22-25(16)14-6-4-13(19)5-7-14)23-17(26)24-10-3-8-18(20,21)9-11-24/h4-7,12H,2-3,8-11H2,1H3,(H,23,26)
InChIKeyUWIOJRPSBFCPMF-UHFFFAOYSA-N
XLogP4.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 124843438
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-methylpiperazine-1-carboxamide
CID 91507780
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 158162896
4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide
CID 72921605
4-[(4,4-difluoropiperidine-1-carbonyl)amino]-1-ethylpyrazole-3-carboxylic acid
CID 166301814
4-acetyl-N-(4-chloro-2-ethylphenyl)-1,4-diazepane-1-carboxamide
CID 74240888
propan-2-yl 4-chloro-3-[(4,4-difluoropiperidine-1-carbonyl)amino]benzoate
CID 118786429
1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
CID 32953030
1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46589414
1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122089636
1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide
CID 90868671
N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide
CID 72862845

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide (CID 131963809) is N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide is CCc1c(NC(=O)N2CCCC(F)(F)CC2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide?
The InChIKey is UWIOJRPSBFCPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF2N4O/c1-2-16-15(12-22-25(16)14-6-4-13(19)5-7-14)23-17(26)24-10-3-8-18(20,21)9-11-24/h4-7,12H,2-3,8-11H2,1H3,(H,23,26).
What are the key properties of N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide?
N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide has a molecular weight of 382.84 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide is sourced from PubChem (CID 131963809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).