3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane

C15H22N2 — CID 145058285

IUPAC3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane
SMILESCC.Cc1cn(C(C)c2ccccc2)nc1C
InChIInChI=1S/C13H16N2.C2H6/c1-10-9-15(14-11(10)2)12(3)13-7-5-4-6-8-13;1-2/h4-9,12H,1-3H3;1-2H3
InChIKeyFEITYSOBOQKCLA-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.14
Rot. Bonds2

About 3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane

3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane (PubChem CID 145058285) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane.

Molecular Properties

Compound Name3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane
PubChem CID145058285
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane
SMILESCC.Cc1cn(C(C)c2ccccc2)nc1C
InChIInChI=1S/C13H16N2.C2H6/c1-10-9-15(14-11(10)2)12(3)13-7-5-4-6-8-13;1-2/h4-9,12H,1-3H3;1-2H3
InChIKeyFEITYSOBOQKCLA-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-1-propan-2-ylpyrazole;ethane
CID 144607335
1-(1-phenylethyl)-4-propan-2-ylimidazole
CID 134380000
1-[(1S)-1-phenylethyl]triazole
CID 175706857
4-methyl-3-phenyl-1-propan-2-ylpyrazole
CID 123403415
methyl 4-[(2-bromoacetyl)amino]-1-(1-phenylethyl)pyrazole-3-carboxylate
CID 154156832
4-nitro-1-(1-phenylethyl)pyrazole-3-carboxylic acid
CID 107345520
(3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide
CID 99791560
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea
CID 119045598
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]acetamide
CID 124853971
1-[(1S)-1-phenylethyl]imidazol-4-amine
CID 101471354
(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-phenylethanamine
CID 81351580
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]butanamide
CID 119045772

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane?
The IUPAC name of 3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane (CID 145058285) is 3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane.
What is the SMILES notation for 3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane?
The canonical SMILES for 3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane is CC.Cc1cn(C(C)c2ccccc2)nc1C.
What is the InChIKey of 3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane?
The InChIKey is FEITYSOBOQKCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C2H6/c1-10-9-15(14-11(10)2)12(3)13-7-5-4-6-8-13;1-2/h4-9,12H,1-3H3;1-2H3.
What are the key properties of 3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane?
3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane has a molecular weight of 230.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane is sourced from PubChem (CID 145058285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).