1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole

C21H21N5O2 — CID 51851957

IUPAC1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole
SMILESCCn1cc([C@H]2CC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c(C)n1
InChIInChI=1S/C21H21N5O2/c1-3-24-14-19(15(2)22-24)21-13-20(16-7-5-4-6-8-16)23-25(21)17-9-11-18(12-10-17)26(27)28/h4-12,14,21H,3,13H2,1-2H3/t21-/m1/s1
InChIKeyBEVFUYHRBMPDFI-OAQYLSRUSA-N
MW375.43 g/mol
LogP4.48
Rot. Bonds5

About 1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole

1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole (PubChem CID 51851957) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole
PubChem CID51851957
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole
SMILESCCn1cc([C@H]2CC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c(C)n1
InChIInChI=1S/C21H21N5O2/c1-3-24-14-19(15(2)22-24)21-13-20(16-7-5-4-6-8-16)23-25(21)17-9-11-18(12-10-17)26(27)28/h4-12,14,21H,3,13H2,1-2H3/t21-/m1/s1
InChIKeyBEVFUYHRBMPDFI-OAQYLSRUSA-N
XLogP4.48
TPSA76.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
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-[3-(1-ethyl-3-methylpyrazol-4-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 53491308
3-[3-(1,3-dimethylpyrazol-4-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 53491327
N,N-dimethyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 7194736
1-ethyl-4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-5-methylpyrazole
CID 40554382
(3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
CID 95989229
2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-3-carbonitrile
CID 3129449
2-[3-(1-ethylpyrazol-3-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 135633348
3-(4-chlorophenyl)-5-(4-ethylphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 3562515
4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole
CID 51424031
3-[2-(4-nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenol
CID 53491313
1-[3-[1-(4-bromophenyl)-3-(4-nitrophenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 118734057
5-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
CID 67499287

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole?
The IUPAC name of 1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole (CID 51851957) is 1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole.
What is the SMILES notation for 1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole?
The canonical SMILES for 1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole is CCn1cc([C@H]2CC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole?
The InChIKey is BEVFUYHRBMPDFI-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-24-14-19(15(2)22-24)21-13-20(16-7-5-4-6-8-16)23-25(21)17-9-11-18(12-10-17)26(27)28/h4-12,14,21H,3,13H2,1-2H3/t21-/m1/s1.
What are the key properties of 1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole?
1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole has a molecular weight of 375.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole is sourced from PubChem (CID 51851957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).