N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide

C11H18N4O — CID 103120629

IUPACN,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCNCC1
InChIInChI=1S/C11H18N4O/c1-14-8-5-10(13-14)11(16)15(2)9-3-6-12-7-4-9/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyKRENUQGEQGPSDX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.24
Rot. Bonds2

About N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide

N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide (PubChem CID 103120629) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
PubChem CID103120629
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCNCC1
InChIInChI=1S/C11H18N4O/c1-14-8-5-10(13-14)11(16)15(2)9-3-6-12-7-4-9/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyKRENUQGEQGPSDX-UHFFFAOYSA-N
XLogP0.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide (CID 103120629) is N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide is CN(C(=O)c1ccn(C)n1)C1CCNCC1.
What is the InChIKey of N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide?
The InChIKey is KRENUQGEQGPSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-8-5-10(13-14)11(16)15(2)9-3-6-12-7-4-9/h5,8-9,12H,3-4,6-7H2,1-2H3.
What are the key properties of N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide?
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 103120629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).