3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine

C11H19N3 — CID 122240842

IUPAC3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine
SMILESCC(C)=CCn1cc(CCCN)cn1
InChIInChI=1S/C11H19N3/c1-10(2)5-7-14-9-11(8-13-14)4-3-6-12/h5,8-9H,3-4,6-7,12H2,1-2H3
InChIKeyGREZICXBQJJAJH-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.74
Rot. Bonds5

About 3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine

3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine (PubChem CID 122240842) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine
PubChem CID122240842
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine
SMILESCC(C)=CCn1cc(CCCN)cn1
InChIInChI=1S/C11H19N3/c1-10(2)5-7-14-9-11(8-13-14)4-3-6-12/h5,8-9H,3-4,6-7,12H2,1-2H3
InChIKeyGREZICXBQJJAJH-UHFFFAOYSA-N
XLogP1.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
CID 122240562
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55172803
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63276910
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63279067
3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine
CID 129368046
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine
CID 62729673
3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine
CID 122240718
2-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]ethanamine
CID 178184391
3-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764974
3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine
CID 62717643

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine (CID 122240842) is 3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine is CC(C)=CCn1cc(CCCN)cn1.
What is the InChIKey of 3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is GREZICXBQJJAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(2)5-7-14-9-11(8-13-14)4-3-6-12/h5,8-9H,3-4,6-7,12H2,1-2H3.
What are the key properties of 3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine?
3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 122240842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).