N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C19H17ClFN3O — CID 18718226

IUPACN-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)nn(C)c2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3O/c1-11-5-4-6-15(16(11)13-7-9-14(20)10-8-13)22-19(25)17-12(2)23-24(3)18(17)21/h4-10H,1-3H3,(H,22,25)
InChIKeyNUTVQCAIWURQKB-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.75
Rot. Bonds3

About N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 18718226) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID18718226
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC NameN-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)nn(C)c2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3O/c1-11-5-4-6-15(16(11)13-7-9-14(20)10-8-13)22-19(25)17-12(2)23-24(3)18(17)21/h4-10H,1-3H3,(H,22,25)
InChIKeyNUTVQCAIWURQKB-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 163527402
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
N-[2-(3-chloro-4-methylpentan-2-yl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 23154700
N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 90239512
N-[2-(2-ethynylphenyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 174989669
5-fluoro-1,3-dimethyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazole-4-carboxamide
CID 87475107
5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide
CID 142208045
5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 1486901
5-fluoro-1,3-dimethyl-N-[2-[4-(phenylmethoxyiminomethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 74067736
5-fluoro-N-[2-[3-methoxy-4-(methoxyiminomethyl)phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 74067708
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 107800757
5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
CID 2766863

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 18718226) is N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is Cc1cccc(NC(=O)c2c(C)nn(C)c2F)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is NUTVQCAIWURQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-11-5-4-6-15(16(11)13-7-9-14(20)10-8-13)22-19(25)17-12(2)23-24(3)18(17)21/h4-10H,1-3H3,(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 357.82 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 18718226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).