(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine

C11H17N3O — CID 122164220

IUPAC(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine
SMILESN[C@@H]1CCO[C@H]1c1ccnn1CC1CC1
InChIInChI=1S/C11H17N3O/c12-9-4-6-15-11(9)10-3-5-13-14(10)7-8-1-2-8/h3,5,8-9,11H,1-2,4,6-7,12H2/t9-,11-/m1/s1
InChIKeyFPVNXBNJCSHELP-MWLCHTKSSA-N
MW207.28 g/mol
LogP1.08
Rot. Bonds3

About (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine

(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine (PubChem CID 122164220) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine
PubChem CID122164220
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine
SMILESN[C@@H]1CCO[C@H]1c1ccnn1CC1CC1
InChIInChI=1S/C11H17N3O/c12-9-4-6-15-11(9)10-3-5-13-14(10)7-8-1-2-8/h3,5,8-9,11H,1-2,4,6-7,12H2/t9-,11-/m1/s1
InChIKeyFPVNXBNJCSHELP-MWLCHTKSSA-N
XLogP1.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine?
The IUPAC name of (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine (CID 122164220) is (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine.
What is the SMILES notation for (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine?
The canonical SMILES for (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine is N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1.
What is the InChIKey of (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine?
The InChIKey is FPVNXBNJCSHELP-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H17N3O/c12-9-4-6-15-11(9)10-3-5-13-14(10)7-8-1-2-8/h3,5,8-9,11H,1-2,4,6-7,12H2/t9-,11-/m1/s1.
What are the key properties of (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine?
(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine has a molecular weight of 207.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-amine is sourced from PubChem (CID 122164220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).