4,4,5-trimethyl-2-phenyl-3H-pyrazole

C12H16N2 — CID 13436704

IUPAC4,4,5-trimethyl-2-phenyl-3H-pyrazole
SMILESCC1=NN(c2ccccc2)CC1(C)C
InChIInChI=1S/C12H16N2/c1-10-12(2,3)9-14(13-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKeyPJCCEINMPPJDCG-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.91
Rot. Bonds1

About 4,4,5-trimethyl-2-phenyl-3H-pyrazole

4,4,5-trimethyl-2-phenyl-3H-pyrazole (PubChem CID 13436704) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4,4,5-trimethyl-2-phenyl-3H-pyrazole.

Molecular Properties

Compound Name4,4,5-trimethyl-2-phenyl-3H-pyrazole
PubChem CID13436704
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4,4,5-trimethyl-2-phenyl-3H-pyrazole
SMILESCC1=NN(c2ccccc2)CC1(C)C
InChIInChI=1S/C12H16N2/c1-10-12(2,3)9-14(13-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKeyPJCCEINMPPJDCG-UHFFFAOYSA-N
XLogP2.91
TPSA15.60 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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4,5-trimethyl-2-phenyl-3H-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

1,3-Diphenyl-4,5-dihydro-1H-pyrazole
CID 302304
3-Amino-1-phenylpyrazole
CID 98736
3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 616784
3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-
CID 136765
1-Phenyl-4,5-dihydro-1H-pyrazole
CID 589611
3-methyl-1-phenyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)-4,5-dihydro-1H-pyrazole
CID 3129770
Stk037974
CID 787909
3-Amino-1-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-1-ium, iodide
CID 2852153
(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine
CID 118737749
Phenyl-5-trifluoromethyl-4,5-dihydro-1h-pyrazole
CID 91039694
(Trifluoromethyl)-phenyl-2-pyrazoline
CID 129670012
5-Methyl-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 15557190

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-2-phenyl-3H-pyrazole?
The IUPAC name of 4,4,5-trimethyl-2-phenyl-3H-pyrazole (CID 13436704) is 4,4,5-trimethyl-2-phenyl-3H-pyrazole.
What is the SMILES notation for 4,4,5-trimethyl-2-phenyl-3H-pyrazole?
The canonical SMILES for 4,4,5-trimethyl-2-phenyl-3H-pyrazole is CC1=NN(c2ccccc2)CC1(C)C.
What is the InChIKey of 4,4,5-trimethyl-2-phenyl-3H-pyrazole?
The InChIKey is PJCCEINMPPJDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-12(2,3)9-14(13-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3.
What are the key properties of 4,4,5-trimethyl-2-phenyl-3H-pyrazole?
4,4,5-trimethyl-2-phenyl-3H-pyrazole has a molecular weight of 188.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-2-phenyl-3H-pyrazole is sourced from PubChem (CID 13436704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).