4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol

C17H30N2O2 — CID 114636327

IUPAC4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol
SMILESCCn1ncc(OC)c1C1(O)CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H30N2O2/c1-6-19-15(14(21-5)12-18-19)17(20)10-7-8-13(9-11-17)16(2,3)4/h12-13,20H,6-11H2,1-5H3
InChIKeyNAIZKPPYRYGFKU-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.73
Rot. Bonds3

About 4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol

4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol (PubChem CID 114636327) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol
PubChem CID114636327
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol
SMILESCCn1ncc(OC)c1C1(O)CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H30N2O2/c1-6-19-15(14(21-5)12-18-19)17(20)10-7-8-13(9-11-17)16(2,3)4/h12-13,20H,6-11H2,1-5H3
InChIKeyNAIZKPPYRYGFKU-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 114633162
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
CID 114636303
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol
CID 114665774
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429592
4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635857
1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429844
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-ol
CID 65094719
1-cyclopropyl-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114636126
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol
CID 114633215
1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylcyclopentan-1-ol
CID 114635969
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol
CID 114636297

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol?
The IUPAC name of 4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol (CID 114636327) is 4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol is CCn1ncc(OC)c1C1(O)CCCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol?
The InChIKey is NAIZKPPYRYGFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-19-15(14(21-5)12-18-19)17(20)10-7-8-13(9-11-17)16(2,3)4/h12-13,20H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol?
4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol is sourced from PubChem (CID 114636327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).