1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine

C15H18N4O2 — CID 83208290

IUPAC1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine
SMILESNc1cn(C2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O2/c16-14-10-18(12-6-2-1-3-7-12)17-15(14)11-5-4-8-13(9-11)19(20)21/h4-5,8-10,12H,1-3,6-7,16H2
InChIKeyMKWJRWUJSRHYCC-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.55
Rot. Bonds3

About 1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine

1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine (PubChem CID 83208290) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine
PubChem CID83208290
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine
SMILESNc1cn(C2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O2/c16-14-10-18(12-6-2-1-3-7-12)17-15(14)11-5-4-8-13(9-11)19(20)21/h4-5,8-10,12H,1-3,6-7,16H2
InChIKeyMKWJRWUJSRHYCC-UHFFFAOYSA-N
XLogP3.55
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-amino-3-(3-nitrophenyl)-1-propylpyrazole-4-carbaldehyde
CID 82360447
cyclopropane;3-nitroaniline
CID 175468087
5-cyclopropyl-1-methyl-3-(3-nitrophenyl)pyrazole
CID 154683142
1-(azetidin-3-yl)-3-(3-nitrophenyl)-1,2,4-triazole
CID 113384284
4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(3-nitrophenyl)-1,3-oxazole
CID 73387383
4-(4-cyclopentylpiperazin-1-yl)-6-methyl-2-(3-nitrophenyl)pyrimidine
CID 55827189
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
(3-nitrophenyl)cycloheptane
CID 142001294
3-cyclohexyl-2-(3-nitrophenyl)cyclopent-2-en-1-one
CID 66879565
3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine
CID 114069334
3-cyclohexyl-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 20994492
N-cyclohexyl-2-(3-nitrophenyl)pyrimidine-5-carboxamide
CID 5035480

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine?
The IUPAC name of 1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine (CID 83208290) is 1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine?
The canonical SMILES for 1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine is Nc1cn(C2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine?
The InChIKey is MKWJRWUJSRHYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-14-10-18(12-6-2-1-3-7-12)17-15(14)11-5-4-8-13(9-11)19(20)21/h4-5,8-10,12H,1-3,6-7,16H2.
What are the key properties of 1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine?
1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine has a molecular weight of 286.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine is sourced from PubChem (CID 83208290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).