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

C12H12FN3O — CID 110858631

IUPACN-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C12H12FN3O/c1-7-8(2)15-16-11(7)12(17)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyDMEBXBUHUOHJGN-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.42
Rot. Bonds2

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

N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 110858631) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID110858631
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C12H12FN3O/c1-7-8(2)15-16-11(7)12(17)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyDMEBXBUHUOHJGN-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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 110858631) is N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2ccc(F)cc2)c1C.
What is the InChIKey of N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is DMEBXBUHUOHJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-8(2)15-16-11(7)12(17)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-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-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110858631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).