5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide

C17H16ClFN4O2 — CID 38880829

IUPAC5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)no1
InChIInChI=1S/C17H16ClFN4O2/c1-10-8-13(21-25-10)9-22(3)17(24)15-11(2)20-23(16(15)18)14-6-4-12(19)5-7-14/h4-8H,9H2,1-3H3
InChIKeyAVZMGSVCRVRLFN-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.54
Rot. Bonds4

About 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 38880829) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID38880829
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC Name5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)no1
InChIInChI=1S/C17H16ClFN4O2/c1-10-8-13(21-25-10)9-22(3)17(24)15-11(2)20-23(16(15)18)14-6-4-12(19)5-7-14/h4-8H,9H2,1-3H3
InChIKeyAVZMGSVCRVRLFN-UHFFFAOYSA-N
XLogP3.54
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methylisoxazole-3-carboxamide
CID 3241656
1H-Pyrazole-4-carboxamide, 1-(3-chloro-4-fluorophenyl)-N,3-dimethyl-5-(5-methyl-3-isoxazolyl)-
CID 2745730
N-{1-[(2-Chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-YL}-5-ethyl-1,2-oxazole-3-carboxamide
CID 15988755
N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methylisoxazole-3-carboxamide
CID 16188845
N-[(3-ethylisoxazol-5-yl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 91833788
N-(3-chloro-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19590090
2-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 59240034
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 68655933
[5-Chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 166083538
[5-Chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone
CID 166083561
[5-Chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-[(3,4-difluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 166083570
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19442147

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide (CID 38880829) is 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide is Cc1cc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)no1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is AVZMGSVCRVRLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c1-10-8-13(21-25-10)9-22(3)17(24)15-11(2)20-23(16(15)18)14-6-4-12(19)5-7-14/h4-8H,9H2,1-3H3.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide?
5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 362.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 38880829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).