3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole

C10H12N2 — CID 59339404

IUPAC3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole
SMILESCC1=NNCC1c1ccccc1
InChIInChI=1S/C10H12N2/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3
InChIKeyCKIDZPVEWZNBAQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.75
Rot. Bonds1

About 3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole

3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole (PubChem CID 59339404) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole
PubChem CID59339404
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole
SMILESCC1=NNCC1c1ccccc1
InChIInChI=1S/C10H12N2/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3
InChIKeyCKIDZPVEWZNBAQ-UHFFFAOYSA-N
XLogP1.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pheniprazine Hydrochloride
CID 6182
(2-Phenylpropyl)hydrazine
CID 6183
3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 3683844
5-Phenyl-4,5-dihydro-1H-pyrazole
CID 120841
3-Phenyl-4,5-dihydro-1H-pyrazole
CID 589745
Hydrazine, 1-(alpha,beta-dimethylphenethyl)-, hydrochloride
CID 44655
(2E)-2-(2-phenylethylhydrazinylidene)propanamide
CID 13510242
sodium (2E)-2-(2-phenylpropylhydrazinylidene)propanoate
CID 23683901
3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole
CID 45268669
3-(4-Fluorophenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole
CID 155512681
3-(4-Propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole
CID 155535678
1H-Pyrazole, 4,5-dihydro-3-methyl-5-phenyl-
CID 10130101

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole (CID 59339404) is 3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole is CC1=NNCC1c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is CKIDZPVEWZNBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3.
What are the key properties of 3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole?
3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 160.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 59339404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).