methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate

C20H17N3O4 — CID 139219175

IUPACmethyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(-c3ccccc3)nn2-c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H17N3O4/c1-27-19(24)20(11-12-20)18-13-17(14-5-3-2-4-6-14)21-22(18)15-7-9-16(10-8-15)23(25)26/h2-10,13H,11-12H2,1H3
InChIKeyHCVWWRNQNGLYMQ-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.65
Rot. Bonds5

About methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate

methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate (PubChem CID 139219175) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate
PubChem CID139219175
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Namemethyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(-c3ccccc3)nn2-c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H17N3O4/c1-27-19(24)20(11-12-20)18-13-17(14-5-3-2-4-6-14)21-22(18)15-7-9-16(10-8-15)23(25)26/h2-10,13H,11-12H2,1H3
InChIKeyHCVWWRNQNGLYMQ-UHFFFAOYSA-N
XLogP3.65
TPSA87.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.65
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'}

Analyze methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate 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

N-[(2R)-3-methylbutan-2-yl]-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 7397683
N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 42758287
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]methanone
CID 4240574
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3434426
[(2E)-3,7-dimethylocta-2,6-dienoyl] 1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxylate
CID 141232102
1-(4-chlorophenyl)-N-(3,3-diphenylpropyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 42662908
3-(4-nitrophenyl)-1-phenyl-5-thiophen-2-ylpyrazole
CID 102358360
3-acetyl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazin-6-one
CID 541184
[3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3931977
[1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42762222
cis-methyl (1S,2S)-2-(4-nitrophenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031531
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 5254174

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate (CID 139219175) is methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate is COC(=O)C1(c2cc(-c3ccccc3)nn2-c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate?
The InChIKey is HCVWWRNQNGLYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-19(24)20(11-12-20)18-13-17(14-5-3-2-4-6-14)21-22(18)15-7-9-16(10-8-15)23(25)26/h2-10,13H,11-12H2,1H3.
What are the key properties of methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate?
methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate has a molecular weight of 363.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 139219175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).