3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide

C17H12ClF2N3O — CID 46920460

IUPAC3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C17H12ClF2N3O/c18-12-3-1-11(2-4-12)15-8-16(23-22-15)17(24)21-9-10-5-13(19)7-14(20)6-10/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyAIJPNNDCEBFGNR-UHFFFAOYSA-N
MW347.75 g/mol
LogP3.94
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 46920460) has the molecular formula C17H12ClF2N3O and a molecular weight of 347.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID46920460
Molecular FormulaC17H12ClF2N3O
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC Name3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C17H12ClF2N3O/c18-12-3-1-11(2-4-12)15-8-16(23-22-15)17(24)21-9-10-5-13(19)7-14(20)6-10/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyAIJPNNDCEBFGNR-UHFFFAOYSA-N
XLogP3.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562
N-[(4-ethoxyphenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 71825312
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
CID 112814117
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide (CID 46920460) is 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1cc(F)cc(F)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AIJPNNDCEBFGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O/c18-12-3-1-11(2-4-12)15-8-16(23-22-15)17(24)21-9-10-5-13(19)7-14(20)6-10/h1-8H,9H2,(H,21,24)(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 347.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).