3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine

C10H18N4 — CID 103078915

IUPAC3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine
SMILESCC(Nc1nn(C)cc1N)C1CCC1
InChIInChI=1S/C10H18N4/c1-7(8-4-3-5-8)12-10-9(11)6-14(2)13-10/h6-8H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyJUYZKDNISXNZBI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.60
Rot. Bonds3

About 3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine

3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine (PubChem CID 103078915) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine
PubChem CID103078915
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine
SMILESCC(Nc1nn(C)cc1N)C1CCC1
InChIInChI=1S/C10H18N4/c1-7(8-4-3-5-8)12-10-9(11)6-14(2)13-10/h6-8H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyJUYZKDNISXNZBI-UHFFFAOYSA-N
XLogP1.60
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine
CID 103078573
3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine
CID 103078379
2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine
CID 81131400
3-N-(3,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine
CID 103078600
methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate
CID 103078315
3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine
CID 103078594
2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine
CID 81131981
3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine
CID 103078240
1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine
CID 103078748
N-(1-cyclobutylethyl)-1,5-dimethylpyrazol-3-amine
CID 130607965
3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
CID 103078216
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088566

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine (CID 103078915) is 3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine is CC(Nc1nn(C)cc1N)C1CCC1.
What is the InChIKey of 3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine?
The InChIKey is JUYZKDNISXNZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(8-4-3-5-8)12-10-9(11)6-14(2)13-10/h6-8H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine?
3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).