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

C9H16N2O — CID 117229710

IUPAC1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
SMILESCCn1cc(OC(C)(C)C)cn1
InChIInChI=1S/C9H16N2O/c1-5-11-7-8(6-10-11)12-9(2,3)4/h6-7H,5H2,1-4H3
InChIKeyKMSLXYZVBSSPOD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.08
Rot. Bonds2

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

1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole (PubChem CID 117229710) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
PubChem CID117229710
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
SMILESCCn1cc(OC(C)(C)C)cn1
InChIInChI=1S/C9H16N2O/c1-5-11-7-8(6-10-11)12-9(2,3)4/h6-7H,5H2,1-4H3
InChIKeyKMSLXYZVBSSPOD-UHFFFAOYSA-N
XLogP2.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine
CID 117125254
3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid
CID 117125444
4-(3-bromo-2,2-dimethylpropoxy)-1-ethylpyrazole
CID 116800878
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
CID 116804432
1-ethyl-4-hexoxypyrazole
CID 116804751
N-tert-butyl-2-(1-ethylpyrazol-4-yl)oxyacetamide
CID 116804669
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
1-ethyl-4-(2-methylbutoxy)pyrazole
CID 116804469
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole?
The IUPAC name of 1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole (CID 117229710) is 1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole.
What is the SMILES notation for 1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole?
The canonical SMILES for 1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole is CCn1cc(OC(C)(C)C)cn1.
What is the InChIKey of 1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole?
The InChIKey is KMSLXYZVBSSPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-11-7-8(6-10-11)12-9(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole?
1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole has a molecular weight of 168.24 g/mol, XLogP of 2.08, 2 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)oxy]pyrazole is sourced from PubChem (CID 117229710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).