1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine

C13H26N4 — CID 66011661

IUPAC1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine
SMILESCCCCCC(C)Nc1c(N)c(C)nn1CC
InChIInChI=1S/C13H26N4/c1-5-7-8-9-10(3)15-13-12(14)11(4)16-17(13)6-2/h10,15H,5-9,14H2,1-4H3
InChIKeyRNMWDRQIMVPAKO-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.17
Rot. Bonds7

About 1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine

1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine (PubChem CID 66011661) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine
PubChem CID66011661
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine
SMILESCCCCCC(C)Nc1c(N)c(C)nn1CC
InChIInChI=1S/C13H26N4/c1-5-7-8-9-10(3)15-13-12(14)11(4)16-17(13)6-2/h10,15H,5-9,14H2,1-4H3
InChIKeyRNMWDRQIMVPAKO-UHFFFAOYSA-N
XLogP3.17
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.17
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

5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011618
1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine
CID 66013458
5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028933
1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
CID 113287312
1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
CID 66012859
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine
CID 106022611
5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011469
5-N-(1-cyclohexylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011682
1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
CID 66013032
5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012649
1,3-dimethyl-5-(octan-2-ylamino)pyrazole-4-carbothioamide
CID 63756698

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine (CID 66011661) is 1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine is CCCCCC(C)Nc1c(N)c(C)nn1CC.
What is the InChIKey of 1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine?
The InChIKey is RNMWDRQIMVPAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-7-8-9-10(3)15-13-12(14)11(4)16-17(13)6-2/h10,15H,5-9,14H2,1-4H3.
What are the key properties of 1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine?
1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine has a molecular weight of 238.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66011661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).