3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine

C11H21N5 — CID 163564562

IUPAC3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
SMILESCc1nn(CC2CCN(C)CC2)c(N)c1N
InChIInChI=1S/C11H21N5/c1-8-10(12)11(13)16(14-8)7-9-3-5-15(2)6-4-9/h9H,3-7,12-13H2,1-2H3
InChIKeyFUCAOGKUPIASFJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.70
Rot. Bonds2

About 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine

3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine (PubChem CID 163564562) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
PubChem CID163564562
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
SMILESCc1nn(CC2CCN(C)CC2)c(N)c1N
InChIInChI=1S/C11H21N5/c1-8-10(12)11(13)16(14-8)7-9-3-5-15(2)6-4-9/h9H,3-7,12-13H2,1-2H3
InChIKeyFUCAOGKUPIASFJ-UHFFFAOYSA-N
XLogP0.70
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine?
The IUPAC name of 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine (CID 163564562) is 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine is Cc1nn(CC2CCN(C)CC2)c(N)c1N.
What is the InChIKey of 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine?
The InChIKey is FUCAOGKUPIASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8-10(12)11(13)16(14-8)7-9-3-5-15(2)6-4-9/h9H,3-7,12-13H2,1-2H3.
What are the key properties of 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine?
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine is sourced from PubChem (CID 163564562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).