N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

C17H12Cl2FN3O — CID 34735906

IUPACN-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1F
InChIInChI=1S/C17H12Cl2FN3O/c1-10-12(9-21-23(10)16-5-3-2-4-15(16)20)17(24)22-11-6-7-13(18)14(19)8-11/h2-9H,1H3,(H,22,24)
InChIKeyWCUVRBKVJDIDNO-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.88
Rot. Bonds3

About N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 34735906) has the molecular formula C17H12Cl2FN3O and a molecular weight of 364.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID34735906
Molecular FormulaC17H12Cl2FN3O
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC NameN-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1F
InChIInChI=1S/C17H12Cl2FN3O/c1-10-12(9-21-23(10)16-5-3-2-4-15(16)20)17(24)22-11-6-7-13(18)14(19)8-11/h2-9H,1H3,(H,22,24)
InChIKeyWCUVRBKVJDIDNO-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate
CID 38239464
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
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1-(2-fluorophenyl)-5-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 33398323
1-(2-fluorophenyl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrazole-4-carboxamide
CID 37186741
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521376
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822481
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55902341
1-(2-fluorophenyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxamide
CID 55520761
N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 60566225
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 99818354
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 134026230

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 34735906) is N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1F.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is WCUVRBKVJDIDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O/c1-10-12(9-21-23(10)16-5-3-2-4-15(16)20)17(24)22-11-6-7-13(18)14(19)8-11/h2-9H,1H3,(H,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 364.21 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 34735906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).