(1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol

C15H25N3O — CID 155958849

IUPAC(1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol
SMILESCC(C)c1cc(CNC2C[C@H]3CC[C@@H](C2)C3O)[nH]n1
InChIInChI=1S/C15H25N3O/c1-9(2)14-7-13(17-18-14)8-16-12-5-10-3-4-11(6-12)15(10)19/h7,9-12,15-16,19H,3-6,8H2,1-2H3,(H,17,18)/t10-,11+,12?,15?
InChIKeyJIOUGLPBAJSGPS-QOARYFPJSA-N
MW263.38 g/mol
LogP2.17
Rot. Bonds4

About (1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol

(1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol (PubChem CID 155958849) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name(1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol
PubChem CID155958849
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol
SMILESCC(C)c1cc(CNC2C[C@H]3CC[C@@H](C2)C3O)[nH]n1
InChIInChI=1S/C15H25N3O/c1-9(2)14-7-13(17-18-14)8-16-12-5-10-3-4-11(6-12)15(10)19/h7,9-12,15-16,19H,3-6,8H2,1-2H3,(H,17,18)/t10-,11+,12?,15?
InChIKeyJIOUGLPBAJSGPS-QOARYFPJSA-N
XLogP2.17
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol?
The IUPAC name of (1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol (CID 155958849) is (1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for (1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol?
The canonical SMILES for (1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol is CC(C)c1cc(CNC2C[C@H]3CC[C@@H](C2)C3O)[nH]n1.
What is the InChIKey of (1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol?
The InChIKey is JIOUGLPBAJSGPS-QOARYFPJSA-N. The full InChI is InChI=1S/C15H25N3O/c1-9(2)14-7-13(17-18-14)8-16-12-5-10-3-4-11(6-12)15(10)19/h7,9-12,15-16,19H,3-6,8H2,1-2H3,(H,17,18)/t10-,11+,12?,15?.
What are the key properties of (1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol?
(1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol has a molecular weight of 263.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 155958849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).