4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol

C16H29N3O — CID 109479351

IUPAC4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNC1CCC(O)CC1
InChIInChI=1S/C16H29N3O/c1-11-15(12(2)19(18-11)16(3,4)5)10-17-13-6-8-14(20)9-7-13/h13-14,17,20H,6-10H2,1-5H3
InChIKeyABESIPNXOYCDHH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.65
Rot. Bonds3

About 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol

4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 109479351) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID109479351
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNC1CCC(O)CC1
InChIInChI=1S/C16H29N3O/c1-11-15(12(2)19(18-11)16(3,4)5)10-17-13-6-8-14(20)9-7-13/h13-14,17,20H,6-10H2,1-5H3
InChIKeyABESIPNXOYCDHH-UHFFFAOYSA-N
XLogP2.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol (CID 109479351) is 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol is Cc1nn(C(C)(C)C)c(C)c1CNC1CCC(O)CC1.
What is the InChIKey of 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is ABESIPNXOYCDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11-15(12(2)19(18-11)16(3,4)5)10-17-13-6-8-14(20)9-7-13/h13-14,17,20H,6-10H2,1-5H3.
What are the key properties of 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol has a molecular weight of 279.43 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 109479351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).