3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine

C17H34N4 — CID 79058059

IUPAC3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine
SMILESCCc1cc(CC(NC)C(C)(CC)N(CC)CC)n(C)n1
InChIInChI=1S/C17H34N4/c1-8-14-12-15(20(7)19-14)13-16(18-6)17(5,9-2)21(10-3)11-4/h12,16,18H,8-11,13H2,1-7H3
InChIKeyYROOHKOYWUQHPG-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.62
Rot. Bonds9

About 3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine

3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine (PubChem CID 79058059) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine
PubChem CID79058059
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine
SMILESCCc1cc(CC(NC)C(C)(CC)N(CC)CC)n(C)n1
InChIInChI=1S/C17H34N4/c1-8-14-12-15(20(7)19-14)13-16(18-6)17(5,9-2)21(10-3)11-4/h12,16,18H,8-11,13H2,1-7H3
InChIKeyYROOHKOYWUQHPG-UHFFFAOYSA-N
XLogP2.62
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine with MolForge

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 79051878
1-(1,3-diethylpyrazol-5-yl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79064585
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 79055746
3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine
CID 79068516
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79058069
3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
CID 116726711
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83138444
4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 104999122
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999024
3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine
CID 79068599
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068743
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine (CID 79058059) is 3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine is CCc1cc(CC(NC)C(C)(CC)N(CC)CC)n(C)n1.
What is the InChIKey of 3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine?
The InChIKey is YROOHKOYWUQHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-8-14-12-15(20(7)19-14)13-16(18-6)17(5,9-2)21(10-3)11-4/h12,16,18H,8-11,13H2,1-7H3.
What are the key properties of 3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine?
3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine has a molecular weight of 294.49 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine is sourced from PubChem (CID 79058059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).