N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide

C11H10FN3O — CID 20865065

IUPACN-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)n[nH]1
InChIInChI=1S/C11H10FN3O/c1-7-6-10(15-14-7)11(16)13-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,16)(H,14,15)
InChIKeyCYRLEAFECLOLNR-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.11
Rot. Bonds2

About N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide

N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 20865065) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID20865065
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC NameN-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)n[nH]1
InChIInChI=1S/C11H10FN3O/c1-7-6-10(15-14-7)11(16)13-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,16)(H,14,15)
InChIKeyCYRLEAFECLOLNR-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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 20865065) is N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2F)n[nH]1.
What is the InChIKey of N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is CYRLEAFECLOLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-6-10(15-14-7)11(16)13-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-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-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 20865065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).