cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol

C14H17ClN2O — CID 176717228

IUPACcis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol
SMILESC[C@H]1CC[C@@H](n2nc(Cl)c3ccccc32)CC1O
InChIInChI=1S/C14H17ClN2O/c1-9-6-7-10(8-13(9)18)17-12-5-3-2-4-11(12)14(15)16-17/h2-5,9-10,13,18H,6-8H2,1H3/t9-,10+,13?/m0/s1
InChIKeyVBNGUJNXLDXEKS-RGPRDZHESA-N
MW264.76 g/mol
LogP3.41
Rot. Bonds1

About cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol

cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol (PubChem CID 176717228) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol
PubChem CID176717228
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Namecis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol
SMILESC[C@H]1CC[C@@H](n2nc(Cl)c3ccccc32)CC1O
InChIInChI=1S/C14H17ClN2O/c1-9-6-7-10(8-13(9)18)17-12-5-3-2-4-11(12)14(15)16-17/h2-5,9-10,13,18H,6-8H2,1H3/t9-,10+,13?/m0/s1
InChIKeyVBNGUJNXLDXEKS-RGPRDZHESA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol?
The IUPAC name of cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol (CID 176717228) is cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol.
What is the SMILES notation for cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol?
The canonical SMILES for cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol is C[C@H]1CC[C@@H](n2nc(Cl)c3ccccc32)CC1O.
What is the InChIKey of cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol?
The InChIKey is VBNGUJNXLDXEKS-RGPRDZHESA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9-6-7-10(8-13(9)18)17-12-5-3-2-4-11(12)14(15)16-17/h2-5,9-10,13,18H,6-8H2,1H3/t9-,10+,13?/m0/s1.
What are the key properties of cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol?
cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol has a molecular weight of 264.76 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 176717228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).