1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide

C11H10FN3O2 — CID 4774030

IUPAC1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(COc2ccccc2F)n1
InChIInChI=1S/C11H10FN3O2/c12-8-3-1-2-4-10(8)17-7-15-6-5-9(14-15)11(13)16/h1-6H,7H2,(H2,13,16)
InChIKeyRHYDTWHVKAVGGA-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.16
Rot. Bonds4

About 1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide

1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4774030) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4774030
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(COc2ccccc2F)n1
InChIInChI=1S/C11H10FN3O2/c12-8-3-1-2-4-10(8)17-7-15-6-5-9(14-15)11(13)16/h1-6H,7H2,(H2,13,16)
InChIKeyRHYDTWHVKAVGGA-UHFFFAOYSA-N
XLogP1.16
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4864754
N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774451
N-(3-fluoro-4-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4865744
N-(2,3-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4865750
1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide
CID 4864797
1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618706
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958
N-[2-(diethylamino)ethyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280115
4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride
CID 132586358
1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
CID 141015259
N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 39891451
1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19279998

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide (CID 4774030) is 1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide is NC(=O)c1ccn(COc2ccccc2F)n1.
What is the InChIKey of 1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is RHYDTWHVKAVGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-8-3-1-2-4-10(8)17-7-15-6-5-9(14-15)11(13)16/h1-6H,7H2,(H2,13,16).
What are the key properties of 1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4774030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).