1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine

C10H15N3 — CID 106225680

IUPAC1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1cnn(CC)c1
InChIInChI=1S/C10H15N3/c1-3-10(11)6-5-9-7-12-13(4-2)8-9/h7-8,10H,3-4,11H2,1-2H3
InChIKeyJWPZXOIZQMPTSV-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.99
Rot. Bonds2

About 1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine

1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine (PubChem CID 106225680) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine
PubChem CID106225680
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1cnn(CC)c1
InChIInChI=1S/C10H15N3/c1-3-10(11)6-5-9-7-12-13(4-2)8-9/h7-8,10H,3-4,11H2,1-2H3
InChIKeyJWPZXOIZQMPTSV-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
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

2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 103570009
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine
CID 116719624
1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135062
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine
CID 130574621
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 63894691
1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine (CID 106225680) is 1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine is CCC(N)C#Cc1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine?
The InChIKey is JWPZXOIZQMPTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-10(11)6-5-9-7-12-13(4-2)8-9/h7-8,10H,3-4,11H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine?
1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine has a molecular weight of 177.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)pent-1-yn-3-amine is sourced from PubChem (CID 106225680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).