1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine

C13H23N3 — CID 106797650

IUPAC1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine
SMILESCCc1cc(CC2(C(C)NC)CC2)n(C)n1
InChIInChI=1S/C13H23N3/c1-5-11-8-12(16(4)15-11)9-13(6-7-13)10(2)14-3/h8,10,14H,5-7,9H2,1-4H3
InChIKeyOCFGQCRYXXBJMW-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.91
Rot. Bonds5

About 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine

1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine (PubChem CID 106797650) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine
PubChem CID106797650
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine
SMILESCCc1cc(CC2(C(C)NC)CC2)n(C)n1
InChIInChI=1S/C13H23N3/c1-5-11-8-12(16(4)15-11)9-13(6-7-13)10(2)14-3/h8,10,14H,5-7,9H2,1-4H3
InChIKeyOCFGQCRYXXBJMW-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
1-(2,2-dimethylcyclopropyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107004635
N-ethyl-1-(1-ethylcyclopentyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999128
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66025218
3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465542
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 105160159
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999024
3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine
CID 116721025
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999439
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769741
4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 104999122

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine?
The IUPAC name of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine (CID 106797650) is 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine is CCc1cc(CC2(C(C)NC)CC2)n(C)n1.
What is the InChIKey of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine?
The InChIKey is OCFGQCRYXXBJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-11-8-12(16(4)15-11)9-13(6-7-13)10(2)14-3/h8,10,14H,5-7,9H2,1-4H3.
What are the key properties of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine?
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine has a molecular weight of 221.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine is sourced from PubChem (CID 106797650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).