3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine

C11H19N3 — CID 115574431

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCCCn1nc(C)cc1C
InChIInChI=1S/C11H19N3/c1-4-6-12-7-5-8-14-11(3)9-10(2)13-14/h4,9,12H,1,5-8H2,2-3H3
InChIKeyFFZFXJYOEHYMBP-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.67
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine

3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 115574431) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
PubChem CID115574431
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCCCn1nc(C)cc1C
InChIInChI=1S/C11H19N3/c1-4-6-12-7-5-8-14-11(3)9-10(2)13-14/h4,9,12H,1,5-8H2,2-3H3
InChIKeyFFZFXJYOEHYMBP-UHFFFAOYSA-N
XLogP1.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-4-en-1-amine
CID 114536472
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
CID 115571469
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine
CID 114536533
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine
CID 136925838
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
CID 115569666
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 114536437
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine
CID 115572658
3-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115572659
3-(3,5-dimethylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115582616

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine (CID 115574431) is 3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine is C=CCNCCCn1nc(C)cc1C.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is FFZFXJYOEHYMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-6-12-7-5-8-14-11(3)9-10(2)13-14/h4,9,12H,1,5-8H2,2-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 115574431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).