5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide

C12H21N5O — CID 83022591

IUPAC5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H21N5O/c1-8-5-4-6-9(2)17(8)15-12(18)10-7-14-16(3)11(10)13/h7-9H,4-6,13H2,1-3H3,(H,15,18)
InChIKeyGORBZVYZDPZSRH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.91
Rot. Bonds2

About 5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide

5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 83022591) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide
PubChem CID83022591
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H21N5O/c1-8-5-4-6-9(2)17(8)15-12(18)10-7-14-16(3)11(10)13/h7-9H,4-6,13H2,1-3H3,(H,15,18)
InChIKeyGORBZVYZDPZSRH-UHFFFAOYSA-N
XLogP0.91
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 83013273
2-amino-N-(2,6-dimethylpiperidin-1-yl)-4-methylbenzamide
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CID 105387166
5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 113288605
5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
CID 113355612
5-amino-N-cyclohexyl-N,1-dimethylpyrazole-4-carboxamide
CID 110485278
5-amino-N-(1-cyclopentylpyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
CID 110485291
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide (CID 83022591) is 5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide is CC1CCCC(C)N1NC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is GORBZVYZDPZSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-5-4-6-9(2)17(8)15-12(18)10-7-14-16(3)11(10)13/h7-9H,4-6,13H2,1-3H3,(H,15,18).
What are the key properties of 5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,6-dimethylpiperidin-1-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 83022591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).