1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine

C13H25N3 — CID 62731001

IUPAC1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
SMILESCCCCn1nc(C)c(C(C)NCC)c1C
InChIInChI=1S/C13H25N3/c1-6-8-9-16-12(5)13(11(4)15-16)10(3)14-7-2/h10,14H,6-9H2,1-5H3
InChIKeyCAKPJMSSTCLBMP-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.97
Rot. Bonds6

About 1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine

1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine (PubChem CID 62731001) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
PubChem CID62731001
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
SMILESCCCCn1nc(C)c(C(C)NCC)c1C
InChIInChI=1S/C13H25N3/c1-6-8-9-16-12(5)13(11(4)15-16)10(3)14-7-2/h10,14H,6-9H2,1-5H3
InChIKeyCAKPJMSSTCLBMP-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
The IUPAC name of 1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine (CID 62731001) is 1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine is CCCCn1nc(C)c(C(C)NCC)c1C.
What is the InChIKey of 1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
The InChIKey is CAKPJMSSTCLBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-8-9-16-12(5)13(11(4)15-16)10(3)14-7-2/h10,14H,6-9H2,1-5H3.
What are the key properties of 1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine is sourced from PubChem (CID 62731001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).