2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol

C17H30N2O2 — CID 114633215

IUPAC2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol
SMILESCOc1cnn(C(C)C)c1C1(O)CCCCC1C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-12(2)19-15(13(21-6)11-18-19)17(20)10-8-7-9-14(17)16(3,4)5/h11-12,14,20H,7-10H2,1-6H3
InChIKeyYRPHCCBJKKLCIJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.90
Rot. Bonds3

About 2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol

2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol (PubChem CID 114633215) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol
PubChem CID114633215
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol
SMILESCOc1cnn(C(C)C)c1C1(O)CCCCC1C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-12(2)19-15(13(21-6)11-18-19)17(20)10-8-7-9-14(17)16(3,4)5/h11-12,14,20H,7-10H2,1-6H3
InChIKeyYRPHCCBJKKLCIJ-UHFFFAOYSA-N
XLogP3.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 114637834
4-hydroxy-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-one
CID 114636426
4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-propylpiperidin-4-ol
CID 114633692
5-(3-bromo-1-methylcyclopentyl)-4-methoxy-1-propan-2-ylpyrazole
CID 114665739
2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol
CID 63406912
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 107187571
1-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114633612
4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol
CID 114636327
2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol
CID 114635866
3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 115810604
3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine
CID 114664853
cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640723

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol (CID 114633215) is 2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol is COc1cnn(C(C)C)c1C1(O)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol?
The InChIKey is YRPHCCBJKKLCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(2)19-15(13(21-6)11-18-19)17(20)10-8-7-9-14(17)16(3,4)5/h11-12,14,20H,7-10H2,1-6H3.
What are the key properties of 2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol?
2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 114633215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).