2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol

C19H35N3O — CID 109482266

IUPAC2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNCCCC1CCCCC1O
InChIInChI=1S/C19H35N3O/c1-14-17(15(2)22(21-14)19(3,4)5)13-20-12-8-10-16-9-6-7-11-18(16)23/h16,18,20,23H,6-13H2,1-5H3
InChIKeyQNUBJIXNIGEJKN-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.68
Rot. Bonds6

About 2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol

2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol (PubChem CID 109482266) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol
PubChem CID109482266
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNCCCC1CCCCC1O
InChIInChI=1S/C19H35N3O/c1-14-17(15(2)22(21-14)19(3,4)5)13-20-12-8-10-16-9-6-7-11-18(16)23/h16,18,20,23H,6-13H2,1-5H3
InChIKeyQNUBJIXNIGEJKN-UHFFFAOYSA-N
XLogP3.68
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol?
The IUPAC name of 2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol (CID 109482266) is 2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol is Cc1nn(C(C)(C)C)c(C)c1CNCCCC1CCCCC1O.
What is the InChIKey of 2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol?
The InChIKey is QNUBJIXNIGEJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-14-17(15(2)22(21-14)19(3,4)5)13-20-12-8-10-16-9-6-7-11-18(16)23/h16,18,20,23H,6-13H2,1-5H3.
What are the key properties of 2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol?
2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol has a molecular weight of 321.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]propyl]cyclohexan-1-ol is sourced from PubChem (CID 109482266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).