1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine

C11H22N4 — CID 66011030

IUPAC1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCC(C)C
InChIInChI=1S/C11H22N4/c1-5-15-11(10(12)9(4)14-15)13-7-6-8(2)3/h8,13H,5-7,12H2,1-4H3
InChIKeyIBDKEFFRCJNQJO-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.25
Rot. Bonds5

About 1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine (PubChem CID 66011030) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
PubChem CID66011030
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCC(C)C
InChIInChI=1S/C11H22N4/c1-5-15-11(10(12)9(4)14-15)13-7-6-8(2)3/h8,13H,5-7,12H2,1-4H3
InChIKeyIBDKEFFRCJNQJO-UHFFFAOYSA-N
XLogP2.25
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
CID 66012859
1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
CID 113287312
5-N-(2-ethoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012621
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide
CID 66012063
1-ethyl-3-methyl-5-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4,5-diamine
CID 106426553
5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011257
5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012649
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine
CID 66011661
3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66012284
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 114092970

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine (CID 66011030) is 1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCCC(C)C.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine?
The InChIKey is IBDKEFFRCJNQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-15-11(10(12)9(4)14-15)13-7-6-8(2)3/h8,13H,5-7,12H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66011030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).