(2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol

C14H23N3O — CID 164632154

IUPAC(2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc([C@H](CO)NCC23CCC(CC2)C3)cn1
InChIInChI=1S/C14H23N3O/c1-17-8-12(7-16-17)13(9-18)15-10-14-4-2-11(6-14)3-5-14/h7-8,11,13,15,18H,2-6,9-10H2,1H3/t11?,13-,14?/m0/s1
InChIKeyOONMHWLDNAEEMF-QRMWWUJWSA-N
MW249.36 g/mol
LogP1.62
Rot. Bonds5

About (2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol

(2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 164632154) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID164632154
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc([C@H](CO)NCC23CCC(CC2)C3)cn1
InChIInChI=1S/C14H23N3O/c1-17-8-12(7-16-17)13(9-18)15-10-14-4-2-11(6-14)3-5-14/h7-8,11,13,15,18H,2-6,9-10H2,1H3/t11?,13-,14?/m0/s1
InChIKeyOONMHWLDNAEEMF-QRMWWUJWSA-N
XLogP1.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of (2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol (CID 164632154) is (2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for (2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for (2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc([C@H](CO)NCC23CCC(CC2)C3)cn1.
What is the InChIKey of (2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is OONMHWLDNAEEMF-QRMWWUJWSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17-8-12(7-16-17)13(9-18)15-10-14-4-2-11(6-14)3-5-14/h7-8,11,13,15,18H,2-6,9-10H2,1H3/t11?,13-,14?/m0/s1.
What are the key properties of (2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol?
(2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 249.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 164632154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).