(2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol

C17H18ClN3O — CID 164632187

IUPAC(2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
SMILESC[C@](O)(CNCc1ccc2cn[nH]c2c1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O/c1-17(22,14-3-2-4-15(18)8-14)11-19-9-12-5-6-13-10-20-21-16(13)7-12/h2-8,10,19,22H,9,11H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyUCSAXKMQQQZDCF-KRWDZBQOSA-N
MW315.80 g/mol
LogP3.21
Rot. Bonds5

About (2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol

(2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol (PubChem CID 164632187) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
PubChem CID164632187
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name(2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
SMILESC[C@](O)(CNCc1ccc2cn[nH]c2c1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O/c1-17(22,14-3-2-4-15(18)8-14)11-19-9-12-5-6-13-10-20-21-16(13)7-12/h2-8,10,19,22H,9,11H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyUCSAXKMQQQZDCF-KRWDZBQOSA-N
XLogP3.21
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol?
The IUPAC name of (2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol (CID 164632187) is (2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol is C[C@](O)(CNCc1ccc2cn[nH]c2c1)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol?
The InChIKey is UCSAXKMQQQZDCF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-17(22,14-3-2-4-15(18)8-14)11-19-9-12-5-6-13-10-20-21-16(13)7-12/h2-8,10,19,22H,9,11H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol?
(2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol has a molecular weight of 315.80 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-1-(1H-indazol-6-ylmethylamino)propan-2-ol is sourced from PubChem (CID 164632187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).