5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide

C18H16FN3O2 — CID 155753640

IUPAC5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cc3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C18H16FN3O2/c1-24-16-8-6-14(7-9-16)20-18(23)17-11-15(21-22-17)10-12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyGXYMHYGPNZSPKX-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.40
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide

5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 155753640) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
PubChem CID155753640
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cc3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C18H16FN3O2/c1-24-16-8-6-14(7-9-16)20-18(23)17-11-15(21-22-17)10-12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyGXYMHYGPNZSPKX-UHFFFAOYSA-N
XLogP3.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)acetyl)-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 10275412
1-(3-fluoro-4-(2-(1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)-2-oxoethyl)phenyl)pyridin-2(1H)-one
CID 10298942
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
N-(4-methoxyphenyl)-2H-indazole-3-carboxamide
CID 9412007
3-[2'-(trifluoromethoxy)-1,1'-biphenyl-3-yl]-1H-pyrazole-5-carboxamide
CID 11393872
2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11537541
N-(3-methoxyphenyl)-1H-indazole-3-carboxamide
CID 16866354
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 894645
5-(4-Methoxy-phenyl)-2-phenyl-2H-pyrazole-3-carboxylic acid hydrazide
CID 2387114
1-benzyl-3-(tert-butyl)-N'-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carbohydrazide
CID 2812565
(4-(2-methoxyphenyl)piperazin-1-yl)(3-phenyl-1H-pyrazol-5-yl)methanone
CID 8867347

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide (CID 155753640) is 5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(Cc3ccc(F)cc3)[nH]n2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is GXYMHYGPNZSPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-16-8-6-14(7-9-16)20-18(23)17-11-15(21-22-17)10-12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide?
5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 155753640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).