N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide

C11H18N4O — CID 141156891

IUPACN-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1ccn[nH]1
InChIInChI=1S/C11H18N4O/c1-8-4-3-5-9(2)15(8)14-11(16)10-6-7-12-13-10/h6-9H,3-5H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyWWMSVGAAJKSNPI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.32
Rot. Bonds2

About N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide

N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 141156891) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID141156891
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1ccn[nH]1
InChIInChI=1S/C11H18N4O/c1-8-4-3-5-9(2)15(8)14-11(16)10-6-7-12-13-10/h6-9H,3-5H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyWWMSVGAAJKSNPI-UHFFFAOYSA-N
XLogP1.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide (CID 141156891) is N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide is CC1CCCC(C)N1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is WWMSVGAAJKSNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-4-3-5-9(2)15(8)14-11(16)10-6-7-12-13-10/h6-9H,3-5H2,1-2H3,(H,12,13)(H,14,16).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide?
N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 141156891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).