1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol

C15H28N2O2 — CID 103035255

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-14(2,3)13-11(10-17(6)16-13)12(18)8-9-15(4,5)19-7/h10,12,18H,8-9H2,1-7H3
InChIKeyPURDIHYUHBVPDX-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.96
Rot. Bonds5

About 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol

1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103035255) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103035255
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-14(2,3)13-11(10-17(6)16-13)12(18)8-9-15(4,5)19-7/h10,12,18H,8-9H2,1-7H3
InChIKeyPURDIHYUHBVPDX-UHFFFAOYSA-N
XLogP2.96
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol 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

1,1,1-Trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol
CID 126758601
1-[5-(2,2,2-Trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol
CID 174060488
1-[3-(2,2,2-Trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol
CID 174060750
4-Methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
CID 103028296
4-Methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol
CID 103028312
1-(1,3-Dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028340
1-(1,5-Dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028416
1-(3-Ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028477
1-(1-Ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035194
4-Methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol
CID 103035486
1-(1,5-Dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 79584950
1-(3-tert-butyl-1-methyl-1H-pyrazol-4-yl)-2,2-difluoroethan-1-ol
CID 83091093

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol (CID 103035255) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is PURDIHYUHBVPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)13-11(10-17(6)16-13)12(18)8-9-15(4,5)19-7/h10,12,18H,8-9H2,1-7H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 268.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103035255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).