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

C14H18N2 — CID 26794614

IUPAC4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole
SMILESCCc1cnn(C)c1CCc1ccccc1
InChIInChI=1S/C14H18N2/c1-3-13-11-15-16(2)14(13)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyUDQMGIVVANBZDW-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.77
Rot. Bonds4

About 4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole

4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole (PubChem CID 26794614) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole.

Molecular Properties

Compound Name4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole
PubChem CID26794614
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole
SMILESCCc1cnn(C)c1CCc1ccccc1
InChIInChI=1S/C14H18N2/c1-3-13-11-15-16(2)14(13)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyUDQMGIVVANBZDW-UHFFFAOYSA-N
XLogP2.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole?
The IUPAC name of 4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole (CID 26794614) is 4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole.
What is the SMILES notation for 4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole?
The canonical SMILES for 4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole is CCc1cnn(C)c1CCc1ccccc1.
What is the InChIKey of 4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole?
The InChIKey is UDQMGIVVANBZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-13-11-15-16(2)14(13)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole?
4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole has a molecular weight of 214.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-5-(2-phenylethyl)pyrazole is sourced from PubChem (CID 26794614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).