3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol

C10H17N3O — CID 106937227

IUPAC3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol
SMILESC=Cn1cc(CNC(C)CCO)cn1
InChIInChI=1S/C10H17N3O/c1-3-13-8-10(7-12-13)6-11-9(2)4-5-14/h3,7-9,11,14H,1,4-6H2,2H3
InChIKeyJAFYAEGUZMHWHT-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.84
Rot. Bonds6

About 3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol

3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol (PubChem CID 106937227) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol
PubChem CID106937227
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol
SMILESC=Cn1cc(CNC(C)CCO)cn1
InChIInChI=1S/C10H17N3O/c1-3-13-8-10(7-12-13)6-11-9(2)4-5-14/h3,7-9,11,14H,1,4-6H2,2H3
InChIKeyJAFYAEGUZMHWHT-UHFFFAOYSA-N
XLogP0.84
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(1-ethenylpyrazol-4-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106937204
3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide
CID 106937399
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
CID 106936984
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896
N-[(1-ethenylpyrazol-4-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 106937397
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 106936396
methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate
CID 106936687
methyl (2S)-2-[(1-ethenylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 106936086
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
N-[(1-ethenylpyrazol-4-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 106937386

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol (CID 106937227) is 3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol is C=Cn1cc(CNC(C)CCO)cn1.
What is the InChIKey of 3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol?
The InChIKey is JAFYAEGUZMHWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-13-8-10(7-12-13)6-11-9(2)4-5-14/h3,7-9,11,14H,1,4-6H2,2H3.
What are the key properties of 3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol?
3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 106937227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).