N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

C12H12FN3O2 — CID 157071276

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cn[nH]c2)c1F
InChIInChI=1S/C12H12FN3O2/c1-18-10-4-2-3-8(11(10)13)5-14-12(17)9-6-15-16-7-9/h2-4,6-7H,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyACLQAYAHCWHJMG-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.49
Rot. Bonds4

About N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 157071276) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID157071276
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cn[nH]c2)c1F
InChIInChI=1S/C12H12FN3O2/c1-18-10-4-2-3-8(11(10)13)5-14-12(17)9-6-15-16-7-9/h2-4,6-7H,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyACLQAYAHCWHJMG-UHFFFAOYSA-N
XLogP1.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diamino-N-[(2-fluoro-3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104467
2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone
CID 104793521
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
N-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 60979424
2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257829
N-[(2,6-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662908
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
CID 102923229
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 79523487
N-[[4-(bromomethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 107233872
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 157071276) is N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide is COc1cccc(CNC(=O)c2cn[nH]c2)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ACLQAYAHCWHJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-18-10-4-2-3-8(11(10)13)5-14-12(17)9-6-15-16-7-9/h2-4,6-7H,5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 157071276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).