3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole

C10H12N2 — CID 54133918

IUPAC3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole
SMILESCc1ccccc1C1CCN=N1
InChIInChI=1S/C10H12N2/c1-8-4-2-3-5-9(8)10-6-7-11-12-10/h2-5,10H,6-7H2,1H3
InChIKeyNWHSHTWHCAMQEY-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.89
Rot. Bonds1

About 3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole

3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole (PubChem CID 54133918) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole
PubChem CID54133918
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole
SMILESCc1ccccc1C1CCN=N1
InChIInChI=1S/C10H12N2/c1-8-4-2-3-5-9(8)10-6-7-11-12-10/h2-5,10H,6-7H2,1H3
InChIKeyNWHSHTWHCAMQEY-UHFFFAOYSA-N
XLogP2.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one
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1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene
CID 126696164
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098
2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
CID 102201716
[4-(2-methylphenyl)oxan-3-yl]methanamine
CID 84778691
1-cyclopent-2-en-1-yl-2-methylbenzene
CID 12699492
3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one
CID 68823925
2,2-dimethyl-6-(2-methylphenyl)oxasilinane
CID 67016841
[4-(2-methylphenyl)thian-3-yl]methanamine
CID 84788259
(2S,6R)-4-chloro-2,6-bis(2-methylphenyl)oxane
CID 11033937
(2S)-1-tert-butyl-2-(2-methylphenyl)pyrrolidine
CID 157275128

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole?
The IUPAC name of 3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole (CID 54133918) is 3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole is Cc1ccccc1C1CCN=N1.
What is the InChIKey of 3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole?
The InChIKey is NWHSHTWHCAMQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-4-2-3-5-9(8)10-6-7-11-12-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole?
3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole has a molecular weight of 160.22 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 54133918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).