N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

C12H11ClFN3O — CID 110859321

IUPACN-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C12H11ClFN3O/c1-6-7(2)16-17-11(6)12(18)15-8-3-4-10(14)9(13)5-8/h3-5H,1-2H3,(H,15,18)(H,16,17)
InChIKeyRWTHYYZILYNYMH-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.07
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 110859321) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID110859321
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C12H11ClFN3O/c1-6-7(2)16-17-11(6)12(18)15-8-3-4-10(14)9(13)5-8/h3-5H,1-2H3,(H,15,18)(H,16,17)
InChIKeyRWTHYYZILYNYMH-UHFFFAOYSA-N
XLogP3.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859494
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858828
N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859079
N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859670
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766208
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
1-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea
CID 4776990
N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide
CID 58941813

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 110859321) is N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2ccc(F)c(Cl)c2)c1C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is RWTHYYZILYNYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-6-7(2)16-17-11(6)12(18)15-8-3-4-10(14)9(13)5-8/h3-5H,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 267.69 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110859321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).