1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine

C11H17N3 — CID 105077550

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine
SMILESC#CCC(NC)c1cc(C)nn1CC
InChIInChI=1S/C11H17N3/c1-5-7-10(12-4)11-8-9(3)13-14(11)6-2/h1,8,10,12H,6-7H2,2-4H3
InChIKeyGXXKFBCFQNQWQM-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.50
Rot. Bonds4

About 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine

1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine (PubChem CID 105077550) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine
PubChem CID105077550
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine
SMILESC#CCC(NC)c1cc(C)nn1CC
InChIInChI=1S/C11H17N3/c1-5-7-10(12-4)11-8-9(3)13-14(11)6-2/h1,8,10,12H,6-7H2,2-4H3
InChIKeyGXXKFBCFQNQWQM-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine
CID 105149010
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine
CID 105333462
1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylprop-2-yn-1-amine
CID 105158193
1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine
CID 105111927
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine
CID 105179636
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
1-(2-ethyl-5-methylpyrazol-3-yl)hex-4-ynylhydrazine
CID 105335035
1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105176375
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine
CID 105156471
2-(2-bromo-5-methoxyphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105151031
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 105122368
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine
CID 105085053

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine (CID 105077550) is 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine is C#CCC(NC)c1cc(C)nn1CC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine?
The InChIKey is GXXKFBCFQNQWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-7-10(12-4)11-8-9(3)13-14(11)6-2/h1,8,10,12H,6-7H2,2-4H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine is sourced from PubChem (CID 105077550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).