N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine

C13H21N3 — CID 114536533

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine
SMILESCC#CCCNCCCn1nc(C)cc1C
InChIInChI=1S/C13H21N3/c1-4-5-6-8-14-9-7-10-16-13(3)11-12(2)15-16/h11,14H,6-10H2,1-3H3
InChIKeyXHGUYBJBIJYIFJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.89
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine (PubChem CID 114536533) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine
PubChem CID114536533
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine
SMILESCC#CCCNCCCn1nc(C)cc1C
InChIInChI=1S/C13H21N3/c1-4-5-6-8-14-9-7-10-16-13(3)11-12(2)15-16/h11,14H,6-10H2,1-3H3
InChIKeyXHGUYBJBIJYIFJ-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
CID 115571469
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-4-en-1-amine
CID 114536472
3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
CID 115574431
3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine
CID 115572658
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 114536437
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
CID 115569666
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
3-(3,5-dimethylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115582616
3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 115571467
3-(3,5-dimethylpyrazol-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115609211

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine (CID 114536533) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine is CC#CCCNCCCn1nc(C)cc1C.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine?
The InChIKey is XHGUYBJBIJYIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-5-6-8-14-9-7-10-16-13(3)11-12(2)15-16/h11,14H,6-10H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine is sourced from PubChem (CID 114536533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).