5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide

C13H22N4O — CID 114252220

IUPAC5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCC1CNCC(C(=O)Nc2ccn(C(C)C)n2)C1
InChIInChI=1S/C13H22N4O/c1-9(2)17-5-4-12(16-17)15-13(18)11-6-10(3)7-14-8-11/h4-5,9-11,14H,6-8H2,1-3H3,(H,15,16,18)
InChIKeyWZHMDBIWWDLDON-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.65
Rot. Bonds3

About 5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide

5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide (PubChem CID 114252220) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
PubChem CID114252220
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCC1CNCC(C(=O)Nc2ccn(C(C)C)n2)C1
InChIInChI=1S/C13H22N4O/c1-9(2)17-5-4-12(16-17)15-13(18)11-6-10(3)7-14-8-11/h4-5,9-11,14H,6-8H2,1-3H3,(H,15,16,18)
InChIKeyWZHMDBIWWDLDON-UHFFFAOYSA-N
XLogP1.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of 5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide (CID 114252220) is 5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide is CC1CNCC(C(=O)Nc2ccn(C(C)C)n2)C1.
What is the InChIKey of 5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
The InChIKey is WZHMDBIWWDLDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)17-5-4-12(16-17)15-13(18)11-6-10(3)7-14-8-11/h4-5,9-11,14H,6-8H2,1-3H3,(H,15,16,18).
What are the key properties of 5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 114252220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).