N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide

C11H10FN3O — CID 47177432

IUPACN-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C11H10FN3O/c1-7-6-8(12)2-3-9(7)14-11(16)10-4-5-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyCELBGXCOJCKDRG-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.11
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide

N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 47177432) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID47177432
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC NameN-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C11H10FN3O/c1-7-6-8(12)2-3-9(7)14-11(16)10-4-5-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyCELBGXCOJCKDRG-UHFFFAOYSA-N
XLogP2.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-5-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 63257543
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63080492
N-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75518713
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide
CID 63079979
N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390704
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 31458266
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880128

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide (CID 47177432) is N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1cc(F)ccc1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CELBGXCOJCKDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-6-8(12)2-3-9(7)14-11(16)10-4-5-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47177432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).