ethane;3-methyl-1-phenylpyrazole

C12H16N2 — CID 91357840

IUPACethane;3-methyl-1-phenylpyrazole
SMILESCC.Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C10H10N2.C2H6/c1-9-7-8-12(11-9)10-5-3-2-4-6-10;1-2/h2-8H,1H3;1-2H3
InChIKeyCOMHNBLWZQFMKT-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.21
Rot. Bonds1

About ethane;3-methyl-1-phenylpyrazole

ethane;3-methyl-1-phenylpyrazole (PubChem CID 91357840) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethane;3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Nameethane;3-methyl-1-phenylpyrazole
PubChem CID91357840
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Nameethane;3-methyl-1-phenylpyrazole
SMILESCC.Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C10H10N2.C2H6/c1-9-7-8-12(11-9)10-5-3-2-4-6-10;1-2/h2-8H,1H3;1-2H3
InChIKeyCOMHNBLWZQFMKT-UHFFFAOYSA-N
XLogP3.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-methyl-1-phenylpyrazole 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

ethane;3-methyl-1-(4-methylphenyl)pyrazole
CID 123320873
1-(4-tert-butylphenyl)-3-methylpyrazole
CID 155445813
1-[4-(chloromethyl)phenyl]-3-methylpyrazole
CID 62488293
[4-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 19627295
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
(1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 63369256
3-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 90328454
1-(3,4-dimethylphenyl)-3-methylpyrazole
CID 90368021
N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide
CID 35521142
N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine
CID 62489516
5-(3-methylpyrazol-1-yl)pyridin-2-amine
CID 66521435
1-phenyl-3-propan-2-yloxypyrazole
CID 176705910

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-phenylpyrazole?
The IUPAC name of ethane;3-methyl-1-phenylpyrazole (CID 91357840) is ethane;3-methyl-1-phenylpyrazole.
What is the SMILES notation for ethane;3-methyl-1-phenylpyrazole?
The canonical SMILES for ethane;3-methyl-1-phenylpyrazole is CC.Cc1ccn(-c2ccccc2)n1.
What is the InChIKey of ethane;3-methyl-1-phenylpyrazole?
The InChIKey is COMHNBLWZQFMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C2H6/c1-9-7-8-12(11-9)10-5-3-2-4-6-10;1-2/h2-8H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1-phenylpyrazole?
ethane;3-methyl-1-phenylpyrazole has a molecular weight of 188.27 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-phenylpyrazole is sourced from PubChem (CID 91357840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).