1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine

C10H15N3 — CID 105112423

IUPAC1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1cnn(C)c1C
InChIInChI=1S/C10H15N3/c1-4-5-6-10(11)9-7-12-13(3)8(9)2/h7,10H,6,11H2,1-3H3
InChIKeyPCDMVLLZBSWBMO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.14
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine

1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine (PubChem CID 105112423) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine
PubChem CID105112423
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1cnn(C)c1C
InChIInChI=1S/C10H15N3/c1-4-5-6-10(11)9-7-12-13(3)8(9)2/h7,10H,6,11H2,1-3H3
InChIKeyPCDMVLLZBSWBMO-UHFFFAOYSA-N
XLogP1.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 105156405
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine
CID 105108352
1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine
CID 105153472
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
CID 105126212
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114026
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine
CID 105112231
1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine
CID 105181368
1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150310
1-(1,3,5-trimethylpyrazol-4-yl)hex-4-yn-2-amine
CID 105112523

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine (CID 105112423) is 1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine is CC#CCC(N)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine?
The InChIKey is PCDMVLLZBSWBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-5-6-10(11)9-7-12-13(3)8(9)2/h7,10H,6,11H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine?
1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.14, 2 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)pent-3-yn-1-amine is sourced from PubChem (CID 105112423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).