(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol

C11H21N3O — CID 104939501

IUPAC(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
SMILESCCCn1nccc1CN[C@H](CC)CO
InChIInChI=1S/C11H21N3O/c1-3-7-14-11(5-6-13-14)8-12-10(4-2)9-15/h5-6,10,12,15H,3-4,7-9H2,1-2H3/t10-/m1/s1
InChIKeyJSECNDPAKMRZQW-SNVBAGLBSA-N
MW211.31 g/mol
LogP1.15
Rot. Bonds7

About (2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol

(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol (PubChem CID 104939501) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
PubChem CID104939501
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
SMILESCCCn1nccc1CN[C@H](CC)CO
InChIInChI=1S/C11H21N3O/c1-3-7-14-11(5-6-13-14)8-12-10(4-2)9-15/h5-6,10,12,15H,3-4,7-9H2,1-2H3/t10-/m1/s1
InChIKeyJSECNDPAKMRZQW-SNVBAGLBSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 107862442
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 114151438
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate
CID 114555320
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol (CID 104939501) is (2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol is CCCn1nccc1CN[C@H](CC)CO.
What is the InChIKey of (2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol?
The InChIKey is JSECNDPAKMRZQW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-7-14-11(5-6-13-14)8-12-10(4-2)9-15/h5-6,10,12,15H,3-4,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol?
(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 104939501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).