4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine

C21H23N5O2 — CID 10981716

IUPAC4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine
SMILESNc1c(NC2CCCCC2)c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H23N5O2/c22-21-20(23-16-9-5-2-6-10-16)19(15-7-3-1-4-8-15)24-25(21)17-11-13-18(14-12-17)26(27)28/h1,3-4,7-8,11-14,16,23H,2,5-6,9-10,22H2
InChIKeyFJOWSRBKNZNISS-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.77
Rot. Bonds5

About 4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine

4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine (PubChem CID 10981716) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine
PubChem CID10981716
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine
SMILESNc1c(NC2CCCCC2)c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H23N5O2/c22-21-20(23-16-9-5-2-6-10-16)19(15-7-3-1-4-8-15)24-25(21)17-11-13-18(14-12-17)26(27)28/h1,3-4,7-8,11-14,16,23H,2,5-6,9-10,22H2
InChIKeyFJOWSRBKNZNISS-UHFFFAOYSA-N
XLogP4.77
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.77
H-Bond Donors ≤ 52
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

3-methyl-1-(4-nitrophenyl)-4-phenyl-1H-pyrazol-5-amine
CID 1263645
1H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-4-[2-(4-nitrophenyl)diazenyl]-1-phenyl-
CID 135843163
Benzyl-[4-(1,5-dimethyl-4-nitro-1H-pyrazol-3-ylazo)-phenyl]-ethyl-amine
CID 3651651
5-Amino-3-[1-cyano-2-(3-nitro-4-piperidin-1-yl-phenyl)-vinyl]-1-phenyl-1H-pyrazole-4-carbonitrile
CID 5286607
3-methyl-1-(3-nitrophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 2766587
6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(p-tolyl)pyridazin-3-amine (5d)
CID 126842786
6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine (5f)
CID 126842788
(Z)-3-methyl-4-(2-(4-methyl-3-nitrophenyl)hydrazono)-1-phenyl-1H-pyrazol-5(4H)-imine
CID 1536740
(Z)-3-methyl-4-(2-(4-nitro-3-(trifluoromethyl)phenyl)hydrazono)-1-phenyl-1H-pyrazol-5(4H)-imine
CID 4653680
4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-nitrophenyl)-5-phenyl-triazole
CID 371076
1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-5-amine
CID 880881
3-Methyl-1,5-diphenyl-1,6,7,8-tetrahydropyrazolo(3,4-b)(1,4)diazepine
CID 135513864

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine?
The IUPAC name of 4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine (CID 10981716) is 4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine.
What is the SMILES notation for 4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine?
The canonical SMILES for 4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine is Nc1c(NC2CCCCC2)c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine?
The InChIKey is FJOWSRBKNZNISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c22-21-20(23-16-9-5-2-6-10-16)19(15-7-3-1-4-8-15)24-25(21)17-11-13-18(14-12-17)26(27)28/h1,3-4,7-8,11-14,16,23H,2,5-6,9-10,22H2.
What are the key properties of 4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine?
4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine has a molecular weight of 377.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-1-(4-nitrophenyl)-3-phenylpyrazole-4,5-diamine is sourced from PubChem (CID 10981716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).