5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine

C13H23N3 — CID 79599098

IUPAC5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1cc(C)nn1C
InChIInChI=1S/C13H23N3/c1-5-14-8-6-7-11(2)9-13-10-12(3)15-16(13)4/h7,10,14H,5-6,8-9H2,1-4H3
InChIKeyJGINOGFFBZQXRT-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.22
Rot. Bonds6

About 5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine

5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine (PubChem CID 79599098) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine
PubChem CID79599098
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1cc(C)nn1C
InChIInChI=1S/C13H23N3/c1-5-14-8-6-7-11(2)9-13-10-12(3)15-16(13)4/h7,10,14H,5-6,8-9H2,1-4H3
InChIKeyJGINOGFFBZQXRT-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598465
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79598454
(E)-N-ethyl-4-(3-propyltriazol-4-yl)pent-3-en-1-amine
CID 114691329
5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598967
N-ethyl-4-(2-methylpyrazol-3-yl)pent-3-en-1-amine
CID 79597834
N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599249
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270
4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110850148
N-(3,5-dimethylphenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110857445

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine (CID 79599098) is 5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine is CCNCCC=C(C)Cc1cc(C)nn1C.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine?
The InChIKey is JGINOGFFBZQXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-14-8-6-7-11(2)9-13-10-12(3)15-16(13)4/h7,10,14H,5-6,8-9H2,1-4H3.
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine?
5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79599098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).