4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol

C18H32N2O — CID 65094517

IUPAC4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
SMILESCC(C)n1ccc(CC2(O)CCCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C18H32N2O/c1-14(2)20-12-9-16(19-20)13-18(21)10-6-7-15(8-11-18)17(3,4)5/h9,12,14-15,21H,6-8,10-11,13H2,1-5H3
InChIKeyKKGOSTRULRABQM-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.36
Rot. Bonds3

About 4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol

4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol (PubChem CID 65094517) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
PubChem CID65094517
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
SMILESCC(C)n1ccc(CC2(O)CCCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C18H32N2O/c1-14(2)20-12-9-16(19-20)13-18(21)10-6-7-15(8-11-18)17(3,4)5/h9,12,14-15,21H,6-8,10-11,13H2,1-5H3
InChIKeyKKGOSTRULRABQM-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 64772234
4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332906
4-tert-butyl-1-[(2,6-dichlorophenyl)methyl]cycloheptan-1-ol
CID 65151667
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869191
4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 82869439
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol
CID 106798253
1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 65377213
4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65147785
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519
4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 64784476
4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 79740383

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol (CID 65094517) is 4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol is CC(C)n1ccc(CC2(O)CCCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The InChIKey is KKGOSTRULRABQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-14(2)20-12-9-16(19-20)13-18(21)10-6-7-15(8-11-18)17(3,4)5/h9,12,14-15,21H,6-8,10-11,13H2,1-5H3.
What are the key properties of 4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol?
4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol has a molecular weight of 292.47 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 65094517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).