2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine

C9H18N4 — CID 103568549

IUPAC2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine
SMILESCCC(CN)CNc1ccn(C)n1
InChIInChI=1S/C9H18N4/c1-3-8(6-10)7-11-9-4-5-13(2)12-9/h4-5,8H,3,6-7,10H2,1-2H3,(H,11,12)
InChIKeyCTMYSXCLPKQGLG-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds5

About 2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine

2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine (PubChem CID 103568549) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine
PubChem CID103568549
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine
SMILESCCC(CN)CNc1ccn(C)n1
InChIInChI=1S/C9H18N4/c1-3-8(6-10)7-11-9-4-5-13(2)12-9/h4-5,8H,3,6-7,10H2,1-2H3,(H,11,12)
InChIKeyCTMYSXCLPKQGLG-UHFFFAOYSA-N
XLogP0.82
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
2-ethyl-2-methyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103568533
N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine
CID 115756836
N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine
CID 103568574
2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine
CID 103568647
2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 23443606
N-butan-2-yl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779691
1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778676
1-(furan-2-yl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79779478
3,3,3-trifluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]propanoic acid
CID 103256819
2-[(1-methylpyrazol-3-yl)amino]acetaldehyde
CID 91444715
ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate
CID 79778560

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine (CID 103568549) is 2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine is CCC(CN)CNc1ccn(C)n1.
What is the InChIKey of 2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine?
The InChIKey is CTMYSXCLPKQGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-8(6-10)7-11-9-4-5-13(2)12-9/h4-5,8H,3,6-7,10H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine?
2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine is sourced from PubChem (CID 103568549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).