5-methyl-1-(2-phenylethyl)pyrazole

C12H14N2 — CID 10419930

IUPAC5-methyl-1-(2-phenylethyl)pyrazole
SMILESCc1ccnn1CCc1ccccc1
InChIInChI=1S/C12H14N2/c1-11-7-9-13-14(11)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3
InChIKeyZUSQLBGCHONCAN-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.43
Rot. Bonds3

About 5-methyl-1-(2-phenylethyl)pyrazole

5-methyl-1-(2-phenylethyl)pyrazole (PubChem CID 10419930) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-methyl-1-(2-phenylethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(2-phenylethyl)pyrazole
PubChem CID10419930
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-methyl-1-(2-phenylethyl)pyrazole
SMILESCc1ccnn1CCc1ccccc1
InChIInChI=1S/C12H14N2/c1-11-7-9-13-14(11)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3
InChIKeyZUSQLBGCHONCAN-UHFFFAOYSA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylethyl)pyrazole-3-sulfonyl chloride
CID 125424430
4-methyl-1-(2-phenylethyl)pyrazol-5-amine
CID 43148141
(1R)-1-[2-(2-phenylethyl)pyrazol-3-yl]prop-2-en-1-ol
CID 125425361
4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole
CID 13353365
4-[[1-benzyl-5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine
CID 72855043
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175659103
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749
(2R)-2-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]propanamide
CID 119282442
5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole
CID 72850941
2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695380
N-methyl-3-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975742
3-chloro-5-methyl-1-(2-phenylethyl)-1,2,4-triazole;hydrochloride
CID 52997057

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-phenylethyl)pyrazole?
The IUPAC name of 5-methyl-1-(2-phenylethyl)pyrazole (CID 10419930) is 5-methyl-1-(2-phenylethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-(2-phenylethyl)pyrazole?
The canonical SMILES for 5-methyl-1-(2-phenylethyl)pyrazole is Cc1ccnn1CCc1ccccc1.
What is the InChIKey of 5-methyl-1-(2-phenylethyl)pyrazole?
The InChIKey is ZUSQLBGCHONCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-11-7-9-13-14(11)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3.
What are the key properties of 5-methyl-1-(2-phenylethyl)pyrazole?
5-methyl-1-(2-phenylethyl)pyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-phenylethyl)pyrazole is sourced from PubChem (CID 10419930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).