1-methyl-4-(1-phenylethoxy)pyrazole

C12H14N2O — CID 116794115

IUPAC1-methyl-4-(1-phenylethoxy)pyrazole
SMILESCC(Oc1cnn(C)c1)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-10(11-6-4-3-5-7-11)15-12-8-13-14(2)9-12/h3-10H,1-2H3
InChIKeyZJJDNMJJLQZQIK-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.56
Rot. Bonds3

About 1-methyl-4-(1-phenylethoxy)pyrazole

1-methyl-4-(1-phenylethoxy)pyrazole (PubChem CID 116794115) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-methyl-4-(1-phenylethoxy)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(1-phenylethoxy)pyrazole
PubChem CID116794115
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-methyl-4-(1-phenylethoxy)pyrazole
SMILESCC(Oc1cnn(C)c1)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-10(11-6-4-3-5-7-11)15-12-8-13-14(2)9-12/h3-10H,1-2H3
InChIKeyZJJDNMJJLQZQIK-UHFFFAOYSA-N
XLogP2.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-phenylethoxy)pyrazole?
The IUPAC name of 1-methyl-4-(1-phenylethoxy)pyrazole (CID 116794115) is 1-methyl-4-(1-phenylethoxy)pyrazole.
What is the SMILES notation for 1-methyl-4-(1-phenylethoxy)pyrazole?
The canonical SMILES for 1-methyl-4-(1-phenylethoxy)pyrazole is CC(Oc1cnn(C)c1)c1ccccc1.
What is the InChIKey of 1-methyl-4-(1-phenylethoxy)pyrazole?
The InChIKey is ZJJDNMJJLQZQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10(11-6-4-3-5-7-11)15-12-8-13-14(2)9-12/h3-10H,1-2H3.
What are the key properties of 1-methyl-4-(1-phenylethoxy)pyrazole?
1-methyl-4-(1-phenylethoxy)pyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-phenylethoxy)pyrazole is sourced from PubChem (CID 116794115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).