(2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol

C13H25N3O — CID 97240096

IUPAC(2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCCC(CC)CNC[C@](C)(O)c1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-5-11(6-2)7-14-10-13(3,17)12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3/t13-/m0/s1
InChIKeyUDFGSJYKIRLPJN-ZDUSSCGKSA-N
MW239.36 g/mol
LogP1.65
Rot. Bonds7

About (2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol

(2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 97240096) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID97240096
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCCC(CC)CNC[C@](C)(O)c1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-5-11(6-2)7-14-10-13(3,17)12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3/t13-/m0/s1
InChIKeyUDFGSJYKIRLPJN-ZDUSSCGKSA-N
XLogP1.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 97240096) is (2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol is CCC(CC)CNC[C@](C)(O)c1cnn(C)c1.
What is the InChIKey of (2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is UDFGSJYKIRLPJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-11(6-2)7-14-10-13(3,17)12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3/t13-/m0/s1.
What are the key properties of (2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
(2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylbutylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 97240096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).