cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol

C14H25N3O — CID 86286438

IUPACcis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
SMILESCc1nn(C)c(C)c1CN(C)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H25N3O/c1-10-12(11(2)17(4)15-10)9-16(3)13-7-5-6-8-14(13)18/h13-14,18H,5-9H2,1-4H3/t13-,14+/m1/s1
InChIKeyGYEPMTLHRROTEM-KGLIPLIRSA-N
MW251.37 g/mol
LogP1.77
Rot. Bonds3

About cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol

cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 86286438) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
PubChem CID86286438
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Namecis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
SMILESCc1nn(C)c(C)c1CN(C)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H25N3O/c1-10-12(11(2)17(4)15-10)9-16(3)13-7-5-6-8-14(13)18/h13-14,18H,5-9H2,1-4H3/t13-,14+/m1/s1
InChIKeyGYEPMTLHRROTEM-KGLIPLIRSA-N
XLogP1.77
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol (CID 86286438) is cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol is Cc1nn(C)c(C)c1CN(C)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is GYEPMTLHRROTEM-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-12(11(2)17(4)15-10)9-16(3)13-7-5-6-8-14(13)18/h13-14,18H,5-9H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol?
cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 86286438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).