3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine

C10H20N4 — CID 103077816

IUPAC3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine
SMILESCCCCN(CC)c1nn(C)cc1N
InChIInChI=1S/C10H20N4/c1-4-6-7-14(5-2)10-9(11)8-13(3)12-10/h8H,4-7,11H2,1-3H3
InChIKeyDGKYJYSIUXPJGL-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.63
Rot. Bonds5

About 3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine

3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine (PubChem CID 103077816) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine
PubChem CID103077816
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine
SMILESCCCCN(CC)c1nn(C)cc1N
InChIInChI=1S/C10H20N4/c1-4-6-7-14(5-2)10-9(11)8-13(3)12-10/h8H,4-7,11H2,1-3H3
InChIKeyDGKYJYSIUXPJGL-UHFFFAOYSA-N
XLogP1.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478379
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CID 103078277
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103187585
4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
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3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine
CID 103078693
3-N-butyl-1-methylpyrazole-3,4-diamine
CID 90481031
5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine
CID 43553970
4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide
CID 65355446
3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine
CID 103077806
4-(aminomethyl)-N-butyl-N-ethylpyridazin-3-amine
CID 80507569
3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-methylpyrazole-3,4-diamine
CID 103078581
4-N-butyl-4-N-ethylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407373

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine (CID 103077816) is 3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine is CCCCN(CC)c1nn(C)cc1N.
What is the InChIKey of 3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine?
The InChIKey is DGKYJYSIUXPJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-6-7-14(5-2)10-9(11)8-13(3)12-10/h8H,4-7,11H2,1-3H3.
What are the key properties of 3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine?
3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine has a molecular weight of 196.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103077816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).