ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate

C15H20N2O2 — CID 146474739

IUPACethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate
SMILESCCOC(=O)C1CN(C)N=C1C(C)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-4-19-15(18)13-10-17(3)16-14(13)11(2)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3
InChIKeyJXCTYBUHNGRTDU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.27
Rot. Bonds4

About ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate

ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate (PubChem CID 146474739) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate
PubChem CID146474739
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate
SMILESCCOC(=O)C1CN(C)N=C1C(C)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-4-19-15(18)13-10-17(3)16-14(13)11(2)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3
InChIKeyJXCTYBUHNGRTDU-UHFFFAOYSA-N
XLogP2.27
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate?
The IUPAC name of ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate (CID 146474739) is ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate is CCOC(=O)C1CN(C)N=C1C(C)c1ccccc1.
What is the InChIKey of ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate?
The InChIKey is JXCTYBUHNGRTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-19-15(18)13-10-17(3)16-14(13)11(2)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3.
What are the key properties of ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate?
ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate is sourced from PubChem (CID 146474739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).