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

C12H23N5 — CID 66014594

IUPAC3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC2CCCN(C)C2)c1N
InChIInChI=1S/C12H23N5/c1-4-10-11(13)12(17(3)15-10)14-9-6-5-7-16(2)8-9/h9,14H,4-8,13H2,1-3H3
InChIKeyIPUXMWOHBBOACX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.07
Rot. Bonds3

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

3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine (PubChem CID 66014594) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine
PubChem CID66014594
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC2CCCN(C)C2)c1N
InChIInChI=1S/C12H23N5/c1-4-10-11(13)12(17(3)15-10)14-9-6-5-7-16(2)8-9/h9,14H,4-8,13H2,1-3H3
InChIKeyIPUXMWOHBBOACX-UHFFFAOYSA-N
XLogP1.07
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine (CID 66014594) is 3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine is CCc1nn(C)c(NC2CCCN(C)C2)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine?
The InChIKey is IPUXMWOHBBOACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-4-10-11(13)12(17(3)15-10)14-9-6-5-7-16(2)8-9/h9,14H,4-8,13H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 66014594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).