3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide

C17H13ClFN3O — CID 46920100

IUPAC3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)ccc1F
InChIInChI=1S/C17H13ClFN3O/c1-10-8-11(6-7-14(10)19)20-17(23)16-9-15(21-22-16)12-4-2-3-5-13(12)18/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyNPKQWNXVBXHSAY-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.43
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920100) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920100
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC Name3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)ccc1F
InChIInChI=1S/C17H13ClFN3O/c1-10-8-11(6-7-14(10)19)20-17(23)16-9-15(21-22-16)12-4-2-3-5-13(12)18/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyNPKQWNXVBXHSAY-UHFFFAOYSA-N
XLogP4.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920076
3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920056
N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046391
3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 46920090
3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide
CID 112770772
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 78860717
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
3-(2,4-dichlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509948
3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135675392

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide (CID 46920100) is 3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)ccc1F.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NPKQWNXVBXHSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c1-10-8-11(6-7-14(10)19)20-17(23)16-9-15(21-22-16)12-4-2-3-5-13(12)18/h2-9H,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 329.76 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).