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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Related Compounds

1-Methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine
CID 71176960
2-[[1-(2-Fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine
CID 145427811
5-Methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine
CID 145427830
2-[(4-Fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine
CID 146569374
1,3-Dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
CID 62967525
1,3-Dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
CID 65534224
1,3-Dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
CID 65534799
[1,3-Dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-yl]methanamine
CID 65534946
1,3-Dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazole-4-carboximidamide
CID 65536455
1-[1,3-dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-yl]-N-methylmethanamine
CID 65537917
1-Methyl-3-propan-2-yl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
CID 66010770
1-Ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
CID 66012483

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).