3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole

C10H12N2 — CID 13196080

IUPAC3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
SMILESCc1ccc(C2=NNCC2)cc1
InChIInChI=1S/C10H12N2/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-5,11H,6-7H2,1H3
InChIKeyAMMQKVNYLNSIQT-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.69
Rot. Bonds1

About 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole

3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 13196080) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID13196080
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
SMILESCc1ccc(C2=NNCC2)cc1
InChIInChI=1S/C10H12N2/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-5,11H,6-7H2,1H3
InChIKeyAMMQKVNYLNSIQT-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 3683844
5-(4-methylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4738338
(1E)-1-(4-methylphenyl)ethanone hydrazone
CID 9677142
3-Phenyl-4,5-dihydro-1H-pyrazole
CID 589745
5-(4-methylphenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
CID 24882538
N-[(E)-2-(4-methylphenyl)ethylideneamino]prop-2-yn-1-amine
CID 44561750
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
Pyrazole, 4,5-dihydro-5-methyl-3-phenyl-
CID 13804525
4,5-Dihydro-3-methyl-4-phenyl-1H-pyrazole
CID 59339404
N-[(Z)-1-phenylethylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 6060513
(Z)-2-((E)-(1-phenylethylidene)hydrazono)azepane
CID 9656485

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole (CID 13196080) is 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole is Cc1ccc(C2=NNCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is AMMQKVNYLNSIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-5,11H,6-7H2,1H3.
What are the key properties of 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole?
3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 160.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 13196080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).