2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine

C13H25N3 — CID 107887997

IUPAC2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine
SMILESCCCC(C)n1nc(C)c(CCNC)c1C
InChIInChI=1S/C13H25N3/c1-6-7-10(2)16-12(4)13(8-9-14-5)11(3)15-16/h10,14H,6-9H2,1-5H3
InChIKeyUIEQEGCPUULLCD-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.62
Rot. Bonds6

About 2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine

2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine (PubChem CID 107887997) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine
PubChem CID107887997
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine
SMILESCCCC(C)n1nc(C)c(CCNC)c1C
InChIInChI=1S/C13H25N3/c1-6-7-10(2)16-12(4)13(8-9-14-5)11(3)15-16/h10,14H,6-9H2,1-5H3
InChIKeyUIEQEGCPUULLCD-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine (CID 107887997) is 2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine is CCCC(C)n1nc(C)c(CCNC)c1C.
What is the InChIKey of 2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is UIEQEGCPUULLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-7-10(2)16-12(4)13(8-9-14-5)11(3)15-16/h10,14H,6-9H2,1-5H3.
What are the key properties of 2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine?
2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 107887997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).