1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole

C10H18N2O — CID 140929447

IUPAC1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole
SMILESCCn1cc(COC(C)(C)C)cn1
InChIInChI=1S/C10H18N2O/c1-5-12-7-9(6-11-12)8-13-10(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyCWCPYCOUANXICB-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.22
Rot. Bonds3

About 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole

1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole (PubChem CID 140929447) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole
PubChem CID140929447
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole
SMILESCCn1cc(COC(C)(C)C)cn1
InChIInChI=1S/C10H18N2O/c1-5-12-7-9(6-11-12)8-13-10(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyCWCPYCOUANXICB-UHFFFAOYSA-N
XLogP2.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole?
The IUPAC name of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole (CID 140929447) is 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole is CCn1cc(COC(C)(C)C)cn1.
What is the InChIKey of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole?
The InChIKey is CWCPYCOUANXICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-12-7-9(6-11-12)8-13-10(2,3)4/h6-7H,5,8H2,1-4H3.
What are the key properties of 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole?
1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrazole is sourced from PubChem (CID 140929447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).