1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide

C18H16FN3O2 — CID 52910309

IUPAC1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(F)cc1Cn1cc(C(N)=O)c(-c2ccccc2)n1
InChIInChI=1S/C18H16FN3O2/c1-24-16-8-7-14(19)9-13(16)10-22-11-15(18(20)23)17(21-22)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,20,23)
InChIKeyZSWIUPHSBPBLEH-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.85
Rot. Bonds5

About 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide

1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 52910309) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide
PubChem CID52910309
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(F)cc1Cn1cc(C(N)=O)c(-c2ccccc2)n1
InChIInChI=1S/C18H16FN3O2/c1-24-16-8-7-14(19)9-13(16)10-22-11-15(18(20)23)17(21-22)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,20,23)
InChIKeyZSWIUPHSBPBLEH-UHFFFAOYSA-N
XLogP2.85
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]-3-phenylpyrazole-4-carboxamide
CID 56822684
1-[2-(2-methylphenoxy)ethyl]-3-phenylpyrazole-4-carboxamide
CID 71879880
ethyl 1-benzyl-3-(4-fluorophenyl)pyrazole-4-carboxylate
CID 69209130
[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 55029615
1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide
CID 9209390
cyanomethyl 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
CID 8980258
N-ethyl-2-(5-fluoro-2-methoxyphenyl)-N-phenylacetamide
CID 110767193
3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 95482065
(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
CID 55319464
[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]-phenylmethanone
CID 11438845
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide (CID 52910309) is 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide is COc1ccc(F)cc1Cn1cc(C(N)=O)c(-c2ccccc2)n1.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is ZSWIUPHSBPBLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-16-8-7-14(19)9-13(16)10-22-11-15(18(20)23)17(21-22)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,20,23).
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide?
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 52910309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).