5-ethyl-4-methyl-3-phenyl-1H-pyrazole

C12H14N2 — CID 134439971

IUPAC5-ethyl-4-methyl-3-phenyl-1H-pyrazole
SMILESCCc1[nH]nc(-c2ccccc2)c1C
InChIInChI=1S/C12H14N2/c1-3-11-9(2)12(14-13-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyNVCWYNCWAZYCET-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.95
Rot. Bonds2

About 5-ethyl-4-methyl-3-phenyl-1H-pyrazole

5-ethyl-4-methyl-3-phenyl-1H-pyrazole (PubChem CID 134439971) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-ethyl-4-methyl-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-ethyl-4-methyl-3-phenyl-1H-pyrazole
PubChem CID134439971
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-ethyl-4-methyl-3-phenyl-1H-pyrazole
SMILESCCc1[nH]nc(-c2ccccc2)c1C
InChIInChI=1S/C12H14N2/c1-3-11-9(2)12(14-13-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyNVCWYNCWAZYCET-UHFFFAOYSA-N
XLogP2.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-4-methyl-3-phenyl-1H-pyrazole 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-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847112
5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile
CID 121212676
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one
CID 123887684
[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 83848092
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
4-ethyl-3-phenyl-5-(4-phenylphenyl)-1H-pyrazole
CID 134304912
[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83848218
4-ethyl-5-phenyl-2H-triazole
CID 15501643
N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847412
(4-chloro-3-phenyl-1H-pyrazol-5-yl)methanethiol
CID 139479531
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-3-phenyl-1H-pyrazole?
The IUPAC name of 5-ethyl-4-methyl-3-phenyl-1H-pyrazole (CID 134439971) is 5-ethyl-4-methyl-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-ethyl-4-methyl-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-ethyl-4-methyl-3-phenyl-1H-pyrazole is CCc1[nH]nc(-c2ccccc2)c1C.
What is the InChIKey of 5-ethyl-4-methyl-3-phenyl-1H-pyrazole?
The InChIKey is NVCWYNCWAZYCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-11-9(2)12(14-13-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-ethyl-4-methyl-3-phenyl-1H-pyrazole?
5-ethyl-4-methyl-3-phenyl-1H-pyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-3-phenyl-1H-pyrazole is sourced from PubChem (CID 134439971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).