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

C11H10FN3O — CID 145294520

IUPAC1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C11H10FN3O/c12-10-3-1-8(2-4-10)6-15-7-9(5-14-15)11(13)16/h1-5,7H,6H2,(H2,13,16)
InChIKeyQVFBTUWXUPYGGE-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.17
Rot. Bonds3

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

1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 145294520) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID145294520
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C11H10FN3O/c12-10-3-1-8(2-4-10)6-15-7-9(5-14-15)11(13)16/h1-5,7H,6H2,(H2,13,16)
InChIKeyQVFBTUWXUPYGGE-UHFFFAOYSA-N
XLogP1.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 141321250
4-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzoic acid
CID 163359312
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide
CID 102663306
[1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol
CID 166351915
3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanoic acid
CID 122240608
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295105
1-(2-chloroethyl)pyrazole-4-carboxamide
CID 130161502
1-[(4-iodophenyl)methyl]pyrazole-4-carboxylic acid
CID 65477016
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 92538268
1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780467

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide (CID 145294520) is 1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide is NC(=O)c1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is QVFBTUWXUPYGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-10-3-1-8(2-4-10)6-15-7-9(5-14-15)11(13)16/h1-5,7H,6H2,(H2,13,16).
What are the key properties of 1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 145294520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).