5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole

C14H15N3O2 — CID 67601463

IUPAC5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1n[nH]c(CC)c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O2/c1-4-12-13(14(9(2)3)16-15-12)10-5-7-11(8-6-10)17(18)19/h5-8H,2,4H2,1,3H3,(H,15,16)
InChIKeyWXAMYVDCLTZYGM-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.58
Rot. Bonds4

About 5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole

5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole (PubChem CID 67601463) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole
PubChem CID67601463
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1n[nH]c(CC)c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O2/c1-4-12-13(14(9(2)3)16-15-12)10-5-7-11(8-6-10)17(18)19/h5-8H,2,4H2,1,3H3,(H,15,16)
InChIKeyWXAMYVDCLTZYGM-UHFFFAOYSA-N
XLogP3.58
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987
methyl 5-methyl-4-(4-nitrophenyl)-1H-pyrazole-3-carboxylate
CID 134910083
ethyl 3-(3-acetyloxy-2-methylpropanoyl)-4-(4-nitrophenyl)-1H-pyrazole-5-carboxylate
CID 139229156
ethanol;1-methyl-4-nitrobenzene
CID 91088173
ethyl 4-chloro-3-(4-nitrophenyl)-1H-pyrazole-5-carboxylate
CID 626447
5-methyl-3-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid
CID 54851348
1-ethyl-4-(4-nitrophenyl)pyridin-1-ium
CID 142406755
5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride
CID 121230197
azane;1-ethyl-4-nitrobenzene
CID 19043225
ethyl-(2-methylprop-2-enyl)-[(4-nitrophenyl)methyl]azanium
CID 6938252
carbonic acid;4-(4-nitrophenyl)-2H-triazole
CID 175214454
ethane;6-(4-nitrophenyl)pyridin-3-ol
CID 144843001

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole?
The IUPAC name of 5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole (CID 67601463) is 5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole.
What is the SMILES notation for 5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole?
The canonical SMILES for 5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole is C=C(C)c1n[nH]c(CC)c1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole?
The InChIKey is WXAMYVDCLTZYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-4-12-13(14(9(2)3)16-15-12)10-5-7-11(8-6-10)17(18)19/h5-8H,2,4H2,1,3H3,(H,15,16).
What are the key properties of 5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole?
5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole has a molecular weight of 257.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-nitrophenyl)-3-prop-1-en-2-yl-1H-pyrazole is sourced from PubChem (CID 67601463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).