N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide

C12H12FN3O — CID 1225332

IUPACN-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C12H12FN3O/c1-16-8-10(7-15-16)12(17)14-6-9-4-2-3-5-11(9)13/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyRHGVMKXGKTXKNM-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.49
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide

N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 1225332) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID1225332
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C12H12FN3O/c1-16-8-10(7-15-16)12(17)14-6-9-4-2-3-5-11(9)13/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyRHGVMKXGKTXKNM-UHFFFAOYSA-N
XLogP1.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide (CID 1225332) is N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccccc2F)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is RHGVMKXGKTXKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-16-8-10(7-15-16)12(17)14-6-9-4-2-3-5-11(9)13/h2-5,7-8H,6H2,1H3,(H,14,17).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 1225332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).