N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine

C12H24N4 — CID 66658054

IUPACN'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)c1c(C)nn(C)c1C
InChIInChI=1S/C12H24N4/c1-6-16(8-7-13)11(4)12-9(2)14-15(5)10(12)3/h11H,6-8,13H2,1-5H3
InChIKeyMTZXXMSIIIESBU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds5

About N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine

N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine (PubChem CID 66658054) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine
PubChem CID66658054
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)c1c(C)nn(C)c1C
InChIInChI=1S/C12H24N4/c1-6-16(8-7-13)11(4)12-9(2)14-15(5)10(12)3/h11H,6-8,13H2,1-5H3
InChIKeyMTZXXMSIIIESBU-UHFFFAOYSA-N
XLogP1.38
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-1-(1-methylethyl)-1H-pyrazol-4-amine
CID 3031275
1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 6485353
1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7175809
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
CID 6483889
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
2-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 3160221
Sbb010340
CID 6492580
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
2,3-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine
CID 82417238

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine (CID 66658054) is N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine is CCN(CCN)C(C)c1c(C)nn(C)c1C.
What is the InChIKey of N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The InChIKey is MTZXXMSIIIESBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-6-16(8-7-13)11(4)12-9(2)14-15(5)10(12)3/h11H,6-8,13H2,1-5H3.
What are the key properties of N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 66658054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).