1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine

C15H27N3 — CID 61270593

IUPAC1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine
SMILESCCNC(C)c1cnn(C2CCCCCC2)c1C
InChIInChI=1S/C15H27N3/c1-4-16-12(2)15-11-17-18(13(15)3)14-9-7-5-6-8-10-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyIYHUJBKOQBOPLH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.76
Rot. Bonds4

About 1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine

1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine (PubChem CID 61270593) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine
PubChem CID61270593
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine
SMILESCCNC(C)c1cnn(C2CCCCCC2)c1C
InChIInChI=1S/C15H27N3/c1-4-16-12(2)15-11-17-18(13(15)3)14-9-7-5-6-8-10-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyIYHUJBKOQBOPLH-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine?
The IUPAC name of 1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine (CID 61270593) is 1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine is CCNC(C)c1cnn(C2CCCCCC2)c1C.
What is the InChIKey of 1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine?
The InChIKey is IYHUJBKOQBOPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-16-12(2)15-11-17-18(13(15)3)14-9-7-5-6-8-10-14/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of 1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine?
1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine is sourced from PubChem (CID 61270593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).