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

C13H25N3O — CID 106348790

IUPAC4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
SMILESCCCn1nccc1CNC(CCO)C(C)C
InChIInChI=1S/C13H25N3O/c1-4-8-16-12(5-7-15-16)10-14-13(6-9-17)11(2)3/h5,7,11,13-14,17H,4,6,8-10H2,1-3H3
InChIKeyYONBTPUCZHVVOC-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds8

About 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol

4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol (PubChem CID 106348790) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
PubChem CID106348790
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
SMILESCCCn1nccc1CNC(CCO)C(C)C
InChIInChI=1S/C13H25N3O/c1-4-8-16-12(5-7-15-16)10-14-13(6-9-17)11(2)3/h5,7,11,13-14,17H,4,6,8-10H2,1-3H3
InChIKeyYONBTPUCZHVVOC-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 114151438
(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
tert-butyl N-[3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107254264
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
CID 106348680
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol (CID 106348790) is 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol is CCCn1nccc1CNC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The InChIKey is YONBTPUCZHVVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-8-16-12(5-7-15-16)10-14-13(6-9-17)11(2)3/h5,7,11,13-14,17H,4,6,8-10H2,1-3H3.
What are the key properties of 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 106348790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).