5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide

C20H19ClFN3O2 — CID 31240354

IUPAC5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-13-18(19(21)25(23-13)16-8-6-15(22)7-9-16)20(26)24(2)12-14-4-10-17(27-3)11-5-14/h4-11H,12H2,1-3H3
InChIKeyIWYGIFJMUBEFKP-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.25
Rot. Bonds5

About 5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide (PubChem CID 31240354) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
PubChem CID31240354
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-13-18(19(21)25(23-13)16-8-6-15(22)7-9-16)20(26)24(2)12-14-4-10-17(27-3)11-5-14/h4-11H,12H2,1-3H3
InChIKeyIWYGIFJMUBEFKP-UHFFFAOYSA-N
XLogP4.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
CID 31150856
5-chloro-N-[(4-ethoxyphenyl)methyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 27822859
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide
CID 55360982
5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 55370769
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 31284852
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 42976931
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 7690988
1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide
CID 29219521
5-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22830645
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 52777542
1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide (CID 31240354) is 5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide is COc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
The InChIKey is IWYGIFJMUBEFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-13-18(19(21)25(23-13)16-8-6-15(22)7-9-16)20(26)24(2)12-14-4-10-17(27-3)11-5-14/h4-11H,12H2,1-3H3.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide has a molecular weight of 387.84 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 31240354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).