(1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol

C12H21N3O — CID 70041668

IUPAC(1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol
SMILESN[C@H](CC1CCCCC1)[C@H](O)c1ccn[nH]1
InChIInChI=1S/C12H21N3O/c13-10(8-9-4-2-1-3-5-9)12(16)11-6-7-14-15-11/h6-7,9-10,12,16H,1-5,8,13H2,(H,14,15)/t10-,12+/m1/s1
InChIKeySKTCGHUFIFOKJB-PWSUYJOCSA-N
MW223.32 g/mol
LogP1.74
Rot. Bonds4

About (1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol

(1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol (PubChem CID 70041668) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol
PubChem CID70041668
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol
SMILESN[C@H](CC1CCCCC1)[C@H](O)c1ccn[nH]1
InChIInChI=1S/C12H21N3O/c13-10(8-9-4-2-1-3-5-9)12(16)11-6-7-14-15-11/h6-7,9-10,12,16H,1-5,8,13H2,(H,14,15)/t10-,12+/m1/s1
InChIKeySKTCGHUFIFOKJB-PWSUYJOCSA-N
XLogP1.74
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol?
The IUPAC name of (1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol (CID 70041668) is (1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol is N[C@H](CC1CCCCC1)[C@H](O)c1ccn[nH]1.
What is the InChIKey of (1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol?
The InChIKey is SKTCGHUFIFOKJB-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H21N3O/c13-10(8-9-4-2-1-3-5-9)12(16)11-6-7-14-15-11/h6-7,9-10,12,16H,1-5,8,13H2,(H,14,15)/t10-,12+/m1/s1.
What are the key properties of (1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol?
(1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 70041668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).