5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide

C11H10FN3O — CID 175759039

IUPAC5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESNC(=O)n1nccc1Cc1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c12-9-3-1-8(2-4-9)7-10-5-6-14-15(10)11(13)16/h1-6H,7H2,(H2,13,16)
InChIKeyIQRIXHWVVAJJQL-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.54
Rot. Bonds2

About 5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide

5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide (PubChem CID 175759039) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
PubChem CID175759039
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESNC(=O)n1nccc1Cc1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c12-9-3-1-8(2-4-9)7-10-5-6-14-15(10)11(13)16/h1-6H,7H2,(H2,13,16)
InChIKeyIQRIXHWVVAJJQL-UHFFFAOYSA-N
XLogP1.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[[5-[(4-fluorophenyl)methyl]pyrazol-1-yl]oxy]propan-2-one
CID 57256857
5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431523
2-bromo-3-(4-fluorophenyl)propanamide
CID 75480645
1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea
CID 89098886
2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide
CID 70707919
[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 83877731
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520
1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one
CID 174471128
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 86979097
3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96607582
ethane;5-ethyl-N-methylpyrazole-1-carboxamide
CID 170960967
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide (CID 175759039) is 5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide is NC(=O)n1nccc1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is IQRIXHWVVAJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-9-3-1-8(2-4-9)7-10-5-6-14-15(10)11(13)16/h1-6H,7H2,(H2,13,16).
What are the key properties of 5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 175759039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).