3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol

C13H25N3O — CID 106172739

IUPAC3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
SMILESCCCn1nccc1CNC(C)(CC)CCO
InChIInChI=1S/C13H25N3O/c1-4-9-16-12(6-8-15-16)11-14-13(3,5-2)7-10-17/h6,8,14,17H,4-5,7,9-11H2,1-3H3
InChIKeyVIKJUYBEIRRZRC-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.93
Rot. Bonds8

About 3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol

3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol (PubChem CID 106172739) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
PubChem CID106172739
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
SMILESCCCn1nccc1CNC(C)(CC)CCO
InChIInChI=1S/C13H25N3O/c1-4-9-16-12(6-8-15-16)11-14-13(3,5-2)7-10-17/h6,8,14,17H,4-5,7,9-11H2,1-3H3
InChIKeyVIKJUYBEIRRZRC-UHFFFAOYSA-N
XLogP1.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
CID 115699079
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
3-(furan-3-ylmethylamino)-3-methylpentan-1-ol
CID 115699077
N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 103037479
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol (CID 106172739) is 3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol is CCCn1nccc1CNC(C)(CC)CCO.
What is the InChIKey of 3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The InChIKey is VIKJUYBEIRRZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-9-16-12(6-8-15-16)11-14-13(3,5-2)7-10-17/h6,8,14,17H,4-5,7,9-11H2,1-3H3.
What are the key properties of 3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 106172739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).