N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide

C13H14FN3O2 — CID 78865045

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn(C)c2)cc1F
InChIInChI=1S/C13H14FN3O2/c1-17-8-10(7-16-17)13(18)15-6-9-3-4-12(19-2)11(14)5-9/h3-5,7-8H,6H2,1-2H3,(H,15,18)
InChIKeyULQIMIHSEQUVSY-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.50
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 78865045) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID78865045
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn(C)c2)cc1F
InChIInChI=1S/C13H14FN3O2/c1-17-8-10(7-16-17)13(18)15-6-9-3-4-12(19-2)11(14)5-9/h3-5,7-8H,6H2,1-2H3,(H,15,18)
InChIKeyULQIMIHSEQUVSY-UHFFFAOYSA-N
XLogP1.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022353
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
(3R,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925219
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 110793434
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 78865180
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762
3-fluoro-4-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121022135
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(4-cyanophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 47161871

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide (CID 78865045) is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide is COc1ccc(CNC(=O)c2cnn(C)c2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ULQIMIHSEQUVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-17-8-10(7-16-17)13(18)15-6-9-3-4-12(19-2)11(14)5-9/h3-5,7-8H,6H2,1-2H3,(H,15,18).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 78865045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).