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

C20H20N4O4 — CID 1053894

IUPACN-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H20N4O4/c25-20(21-14-6-2-1-3-7-14)18-13-17(19-10-5-11-28-19)22-23(18)15-8-4-9-16(12-15)24(26)27/h4-5,8-14H,1-3,6-7H2,(H,21,25)
InChIKeyDOWYLGFWMRPKAI-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.10
Rot. Bonds5

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

N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide (PubChem CID 1053894) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
PubChem CID1053894
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H20N4O4/c25-20(21-14-6-2-1-3-7-14)18-13-17(19-10-5-11-28-19)22-23(18)15-8-4-9-16(12-15)24(26)27/h4-5,8-14H,1-3,6-7H2,(H,21,25)
InChIKeyDOWYLGFWMRPKAI-UHFFFAOYSA-N
XLogP4.10
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3993041
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 5041268
3-(furan-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 6961782
N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119474454
[3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 4266210
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 119455183
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053514
N-benzyl-3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053910
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053861
N-(3,3-diphenylpropyl)-3-(1-methylpyrrol-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 42759024
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
CID 42759394

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide (CID 1053894) is N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide is O=C(NC1CCCCC1)c1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The InChIKey is DOWYLGFWMRPKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-20(21-14-6-2-1-3-7-14)18-13-17(19-10-5-11-28-19)22-23(18)15-8-4-9-16(12-15)24(26)27/h4-5,8-14H,1-3,6-7H2,(H,21,25).
What are the key properties of N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1053894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).