1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride

C9H20Cl2N4 — CID 102565625

IUPAC1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride
SMILESCCn1cc(N)c(NCC(C)C)n1.Cl.Cl
InChIInChI=1S/C9H18N4.2ClH/c1-4-13-6-8(10)9(12-13)11-5-7(2)3;;/h6-7H,4-5,10H2,1-3H3,(H,11,12);2*1H
InChIKeyWKDZCJUZTOKEHD-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.40
Rot. Bonds4

About 1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride

1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride (PubChem CID 102565625) has the molecular formula C9H20Cl2N4 and a molecular weight of 255.19 g/mol. Its IUPAC name is 1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride.

Molecular Properties

Compound Name1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride
PubChem CID102565625
Molecular FormulaC9H20Cl2N4
Molecular Weight255.19 g/mol
Exact Mass254.11
IUPAC Name1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride
SMILESCCn1cc(N)c(NCC(C)C)n1.Cl.Cl
InChIInChI=1S/C9H18N4.2ClH/c1-4-13-6-8(10)9(12-13)11-5-7(2)3;;/h6-7H,4-5,10H2,1-3H3,(H,11,12);2*1H
InChIKeyWKDZCJUZTOKEHD-UHFFFAOYSA-N
XLogP2.40
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride?
The IUPAC name of 1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride (CID 102565625) is 1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride.
What is the SMILES notation for 1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride?
The canonical SMILES for 1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride is CCn1cc(N)c(NCC(C)C)n1.Cl.Cl.
What is the InChIKey of 1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride?
The InChIKey is WKDZCJUZTOKEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4.2ClH/c1-4-13-6-8(10)9(12-13)11-5-7(2)3;;/h6-7H,4-5,10H2,1-3H3,(H,11,12);2*1H.
What are the key properties of 1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride?
1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride has a molecular weight of 255.19 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-N-(2-methylpropyl)pyrazole-3,4-diamine;dihydrochloride is sourced from PubChem (CID 102565625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).