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

C20H20FN3O2 — CID 42762263

IUPACN-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccco2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O2/c21-14-8-10-16(11-9-14)24-18(13-17(23-24)19-7-4-12-26-19)20(25)22-15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6H2,(H,22,25)
InChIKeyRCCHOXDTDQUBSQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.33
Rot. Bonds4

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

N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide (PubChem CID 42762263) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
PubChem CID42762263
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccco2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O2/c21-14-8-10-16(11-9-14)24-18(13-17(23-24)19-7-4-12-26-19)20(25)22-15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6H2,(H,22,25)
InChIKeyRCCHOXDTDQUBSQ-UHFFFAOYSA-N
XLogP4.33
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 1053894
N-cyclohexyl-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 4266674
N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119474454
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 119455183
1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate
CID 6946088
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42762271
N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 812037
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide
CID 120577727
3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 4005097
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-fluorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone
CID 1053447

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide (CID 42762263) is N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide is O=C(NC1CCCCC1)c1cc(-c2ccco2)nn1-c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
The InChIKey is RCCHOXDTDQUBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-14-8-10-16(11-9-14)24-18(13-17(23-24)19-7-4-12-26-19)20(25)22-15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6H2,(H,22,25).
What are the key properties of N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 42762263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).