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

C12H12FN3O — CID 43582601

IUPACN-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H12FN3O/c1-7-11(8(2)16-15-7)12(17)14-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyMGWFWUGPQDZWQC-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.42
Rot. Bonds2

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

N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43582601) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID43582601
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H12FN3O/c1-7-11(8(2)16-15-7)12(17)14-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyMGWFWUGPQDZWQC-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 43583203
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113352500
N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107335521
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582476
N-(5-bromonaphthalen-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 146021959
N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61276278
N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274560
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582492
N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259853

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 43582601) is N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is MGWFWUGPQDZWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-11(8(2)16-15-7)12(17)14-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).