3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine

C11H17N3 — CID 107462723

IUPAC3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine
SMILESC#CC(CC)Nc1cn(C)nc1CC
InChIInChI=1S/C11H17N3/c1-5-9(6-2)12-11-8-14(4)13-10(11)7-3/h1,8-9,12H,6-7H2,2-4H3
InChIKeyUXEAGLJTWAYDGM-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.81
Rot. Bonds4

About 3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine

3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine (PubChem CID 107462723) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine
PubChem CID107462723
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine
SMILESC#CC(CC)Nc1cn(C)nc1CC
InChIInChI=1S/C11H17N3/c1-5-9(6-2)12-11-8-14(4)13-10(11)7-3/h1,8-9,12H,6-7H2,2-4H3
InChIKeyUXEAGLJTWAYDGM-UHFFFAOYSA-N
XLogP1.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.81
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

3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115923177
3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine
CID 103932474
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 104700571
3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
CID 102613275

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine (CID 107462723) is 3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine is C#CC(CC)Nc1cn(C)nc1CC.
What is the InChIKey of 3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine?
The InChIKey is UXEAGLJTWAYDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-9(6-2)12-11-8-14(4)13-10(11)7-3/h1,8-9,12H,6-7H2,2-4H3.
What are the key properties of 3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine?
3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine has a molecular weight of 191.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine is sourced from PubChem (CID 107462723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).