1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide

C19H14FN3O3 — CID 42762262

IUPAC1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2ccco2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H14FN3O3/c20-13-5-7-14(8-6-13)23-17(11-16(22-23)18-4-2-10-26-18)19(24)21-12-15-3-1-9-25-15/h1-11H,12H2,(H,21,24)
InChIKeyRNNMCTSVZMCCIZ-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.79
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide

1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 42762262) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID42762262
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2ccco2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H14FN3O3/c20-13-5-7-14(8-6-13)23-17(11-16(22-23)18-4-2-10-26-18)19(24)21-12-15-3-1-9-25-15/h1-11H,12H2,(H,21,24)
InChIKeyRNNMCTSVZMCCIZ-UHFFFAOYSA-N
XLogP3.79
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42762271
1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate
CID 6946088
N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4597615
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3967292
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053621
N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18131972
3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 27649949
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide (CID 42762262) is 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide is O=C(NCc1ccco1)c1cc(-c2ccco2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is RNNMCTSVZMCCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-13-5-7-14(8-6-13)23-17(11-16(22-23)18-4-2-10-26-18)19(24)21-12-15-3-1-9-25-15/h1-11H,12H2,(H,21,24).
What are the key properties of 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide?
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42762262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).