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

C9H17N3O — CID 82882501

IUPAC3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
SMILESCC(O)C(C)NCc1ccn(C)n1
InChIInChI=1S/C9H17N3O/c1-7(8(2)13)10-6-9-4-5-12(3)11-9/h4-5,7-8,10,13H,6H2,1-3H3
InChIKeyFEBRIBQFDMRTHC-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.28
Rot. Bonds4

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

3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol (PubChem CID 82882501) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
PubChem CID82882501
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
SMILESCC(O)C(C)NCc1ccn(C)n1
InChIInChI=1S/C9H17N3O/c1-7(8(2)13)10-6-9-4-5-12(3)11-9/h4-5,7-8,10,13H,6H2,1-3H3
InChIKeyFEBRIBQFDMRTHC-UHFFFAOYSA-N
XLogP0.28
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 107859736
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639713
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167
3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol
CID 115623504
1,1-difluoro-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103731643
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82871909
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78921673
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867029

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol (CID 82882501) is 3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol is CC(O)C(C)NCc1ccn(C)n1.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol?
The InChIKey is FEBRIBQFDMRTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(8(2)13)10-6-9-4-5-12(3)11-9/h4-5,7-8,10,13H,6H2,1-3H3.
What are the key properties of 3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol?
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol is sourced from PubChem (CID 82882501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).