cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol

C15H27N3O — CID 77086189

IUPACcis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H27N3O/c1-15(2,3)14-9-11(16-17-14)10-18(4)12-7-5-6-8-13(12)19/h9,12-13,19H,5-8,10H2,1-4H3,(H,16,17)/t12-,13+/m1/s1
InChIKeyTZQCLWWRISSGSQ-OLZOCXBDSA-N
MW265.40 g/mol
LogP2.44
Rot. Bonds3

About cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol

cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 77086189) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol
PubChem CID77086189
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Namecis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H27N3O/c1-15(2,3)14-9-11(16-17-14)10-18(4)12-7-5-6-8-13(12)19/h9,12-13,19H,5-8,10H2,1-4H3,(H,16,17)/t12-,13+/m1/s1
InChIKeyTZQCLWWRISSGSQ-OLZOCXBDSA-N
XLogP2.44
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol (CID 77086189) is cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol is CN(Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is TZQCLWWRISSGSQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(2,3)14-9-11(16-17-14)10-18(4)12-7-5-6-8-13(12)19/h9,12-13,19H,5-8,10H2,1-4H3,(H,16,17)/t12-,13+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 77086189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).