3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide

C21H14F3N3O2 — CID 31279912

IUPAC3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)c(F)c2F)o1
InChIInChI=1S/C21H14F3N3O2/c1-12-7-10-17(29-12)20-14(11-27(26-20)13-5-3-2-4-6-13)21(28)25-16-9-8-15(22)18(23)19(16)24/h2-11H,1H3,(H,25,28)
InChIKeyFCFIWJHKMIRODP-UHFFFAOYSA-N
MW397.36 g/mol
LogP5.11
Rot. Bonds4

About 3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide

3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide (PubChem CID 31279912) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide
PubChem CID31279912
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC Name3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)c(F)c2F)o1
InChIInChI=1S/C21H14F3N3O2/c1-12-7-10-17(29-12)20-14(11-27(26-20)13-5-3-2-4-6-13)21(28)25-16-9-8-15(22)18(23)19(16)24/h2-11H,1H3,(H,25,28)
InChIKeyFCFIWJHKMIRODP-UHFFFAOYSA-N
XLogP5.11
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 55538260
N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55550291
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31130909
N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31131413
methyl 4-chloro-3-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 55338476
N-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31287113
N-(4-carbamoyl-3-methylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 56518331
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78812981
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55339723

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide (CID 31279912) is 3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)c(F)c2F)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide?
The InChIKey is FCFIWJHKMIRODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c1-12-7-10-17(29-12)20-14(11-27(26-20)13-5-3-2-4-6-13)21(28)25-16-9-8-15(22)18(23)19(16)24/h2-11H,1H3,(H,25,28).
What are the key properties of 3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide?
3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 31279912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).