2-benzyl-3,5-dimethyl-3,4-dihydropyrazole

C12H16N2 — CID 59940821

IUPAC2-benzyl-3,5-dimethyl-3,4-dihydropyrazole
SMILESCC1=NN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C12H16N2/c1-10-8-11(2)14(13-10)9-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3
InChIKeyNATAOLMFXOFORB-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.66
Rot. Bonds2

About 2-benzyl-3,5-dimethyl-3,4-dihydropyrazole

2-benzyl-3,5-dimethyl-3,4-dihydropyrazole (PubChem CID 59940821) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-benzyl-3,5-dimethyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-benzyl-3,5-dimethyl-3,4-dihydropyrazole
PubChem CID59940821
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-benzyl-3,5-dimethyl-3,4-dihydropyrazole
SMILESCC1=NN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C12H16N2/c1-10-8-11(2)14(13-10)9-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3
InChIKeyNATAOLMFXOFORB-UHFFFAOYSA-N
XLogP2.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
CID 97259949
1-[5-(2-benzyl-5-methyl-3,4-dihydropyrazol-3-yl)thiophen-2-yl]ethanone;ethane
CID 143534170
N-[(3S)-2-benzyl-3-methyl-3,4-dihydropyrazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 97259948
(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one
CID 13358936
2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine
CID 86227815
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
2-(4-benzyl-2-methylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 130766041
1-benzyl-2-methyl-2,3-dihydroindol-4-ol
CID 70918044
(5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole
CID 163919256
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride
CID 141084950

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,5-dimethyl-3,4-dihydropyrazole?
The IUPAC name of 2-benzyl-3,5-dimethyl-3,4-dihydropyrazole (CID 59940821) is 2-benzyl-3,5-dimethyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-benzyl-3,5-dimethyl-3,4-dihydropyrazole?
The canonical SMILES for 2-benzyl-3,5-dimethyl-3,4-dihydropyrazole is CC1=NN(Cc2ccccc2)C(C)C1.
What is the InChIKey of 2-benzyl-3,5-dimethyl-3,4-dihydropyrazole?
The InChIKey is NATAOLMFXOFORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-8-11(2)14(13-10)9-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3.
What are the key properties of 2-benzyl-3,5-dimethyl-3,4-dihydropyrazole?
2-benzyl-3,5-dimethyl-3,4-dihydropyrazole has a molecular weight of 188.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,5-dimethyl-3,4-dihydropyrazole is sourced from PubChem (CID 59940821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).