2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol

C20H19N5O3 — CID 135633348

IUPAC2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol
SMILESCCn1ccc(C2CC(c3ccccc3O)=NN2c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C20H19N5O3/c1-2-23-12-11-17(21-23)19-13-18(16-5-3-4-6-20(16)26)22-24(19)14-7-9-15(10-8-14)25(27)28/h3-12,19,26H,2,13H2,1H3
InChIKeyYXCSVAJGCHDPAR-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.87
Rot. Bonds5

About 2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol

2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol (PubChem CID 135633348) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol
PubChem CID135633348
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol
SMILESCCn1ccc(C2CC(c3ccccc3O)=NN2c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C20H19N5O3/c1-2-23-12-11-17(21-23)19-13-18(16-5-3-4-6-20(16)26)22-24(19)14-7-9-15(10-8-14)25(27)28/h3-12,19,26H,2,13H2,1H3
InChIKeyYXCSVAJGCHDPAR-UHFFFAOYSA-N
XLogP3.87
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole
CID 51851957
3-[3-(1-ethyl-3-methylpyrazol-4-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 53491308
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224
1-ethyl-3-(2-nitrophenyl)pyrazole
CID 22493260
N,N-dimethyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 7194736
3-[3-(1,3-dimethylpyrazol-4-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 53491327
2,6-ditert-butyl-4-[(3R)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 41020572
3-(4-chlorophenyl)-5-(4-ethylphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 3562515
(3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
CID 95989229
3-[2-(4-nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenol
CID 53491313
2-(3-chlorophenyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazole
CID 118095334
1-ethyl-4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-5-methylpyrazole
CID 40554382

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol?
The IUPAC name of 2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol (CID 135633348) is 2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol is CCn1ccc(C2CC(c3ccccc3O)=NN2c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol?
The InChIKey is YXCSVAJGCHDPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-2-23-12-11-17(21-23)19-13-18(16-5-3-4-6-20(16)26)22-24(19)14-7-9-15(10-8-14)25(27)28/h3-12,19,26H,2,13H2,1H3.
What are the key properties of 2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol?
2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol has a molecular weight of 377.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol is sourced from PubChem (CID 135633348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).