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

C12H24N4 — CID 66012859

IUPAC1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCCC(C)C
InChIInChI=1S/C12H24N4/c1-5-16-12(11(13)10(4)15-16)14-8-6-7-9(2)3/h9,14H,5-8,13H2,1-4H3
InChIKeyCDNPXHITRAWNCC-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.64
Rot. Bonds6

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

1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine (PubChem CID 66012859) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
PubChem CID66012859
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCCC(C)C
InChIInChI=1S/C12H24N4/c1-5-16-12(11(13)10(4)15-16)14-8-6-7-9(2)3/h9,14H,5-8,13H2,1-4H3
InChIKeyCDNPXHITRAWNCC-UHFFFAOYSA-N
XLogP2.64
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
CID 113287312
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
5-N-(2-ethoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012621
5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012649
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
5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011257
1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine
CID 66011661
1-ethyl-3-methyl-5-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4,5-diamine
CID 106426553
1-ethyl-3-methyl-5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-4,5-diamine
CID 66012088
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011618

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine (CID 66012859) is 1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCCCC(C)C.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine?
The InChIKey is CDNPXHITRAWNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-16-12(11(13)10(4)15-16)14-8-6-7-9(2)3/h9,14H,5-8,13H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.64, 6 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-(4-methylpentyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66012859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).