1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine

C13H25N3 — CID 105082907

IUPAC1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
SMILESCCc1cc(C(CC(C)C)NC)n(CC)n1
InChIInChI=1S/C13H25N3/c1-6-11-9-13(16(7-2)15-11)12(14-5)8-10(3)4/h9-10,12,14H,6-8H2,1-5H3
InChIKeyZILWAJLMOUZDSJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds6

About 1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine

1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine (PubChem CID 105082907) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
PubChem CID105082907
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
SMILESCCc1cc(C(CC(C)C)NC)n(CC)n1
InChIInChI=1S/C13H25N3/c1-6-11-9-13(16(7-2)15-11)12(14-5)8-10(3)4/h9-10,12,14H,6-8H2,1-5H3
InChIKeyZILWAJLMOUZDSJ-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine
CID 105111927
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
CID 105084399
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
CID 105177082
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 105160538
1-(1,3-diethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109456
1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 105112856
2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 106867142
2-(3-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105169332
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
2-(4-chloro-3-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 107891586
1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105127926

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine (CID 105082907) is 1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine is CCc1cc(C(CC(C)C)NC)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is ZILWAJLMOUZDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-11-9-13(16(7-2)15-11)12(14-5)8-10(3)4/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine?
1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 105082907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).