1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine

C11H19N3 — CID 105161099

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1cnn(C)c1C
InChIInChI=1S/C11H19N3/c1-5-7-12-11(6-2)10-8-13-14(4)9(10)3/h6,8,11-12H,2,5,7H2,1,3-4H3
InChIKeyYCIDUOGPJSRIHN-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.96
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine

1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine (PubChem CID 105161099) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine
PubChem CID105161099
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1cnn(C)c1C
InChIInChI=1S/C11H19N3/c1-5-7-12-11(6-2)10-8-13-14(4)9(10)3/h6,8,11-12H,2,5,7H2,1,3-4H3
InChIKeyYCIDUOGPJSRIHN-UHFFFAOYSA-N
XLogP1.96
TPSA29.85 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 ≤ 51.96
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

1-(1,5-dimethylpyrazol-4-yl)-3-ethyl-N-propylpentan-1-amine
CID 105176674
N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105151550
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 79584851
methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
CID 79595786
1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine
CID 105181368
N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105179186
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105171430
N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105145523
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102033
N-[2-(4-bromothiophen-2-yl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105139141

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine (CID 105161099) is 1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine is C=CC(NCCC)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine?
The InChIKey is YCIDUOGPJSRIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-7-12-11(6-2)10-8-13-14(4)9(10)3/h6,8,11-12H,2,5,7H2,1,3-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine?
1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105161099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).