N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide

C15H23N7O — CID 75388055

IUPACN-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C15H23N7O/c1-12(2)22-14(3-6-17-22)18-15(23)20-8-4-13(5-9-20)11-21-10-7-16-19-21/h3,6-7,10,12-13H,4-5,8-9,11H2,1-2H3,(H,18,23)
InChIKeyMUOCOODUYJKKLA-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.00
Rot. Bonds4

About N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide

N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 75388055) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID75388055
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C15H23N7O/c1-12(2)22-14(3-6-17-22)18-15(23)20-8-4-13(5-9-20)11-21-10-7-16-19-21/h3,6-7,10,12-13H,4-5,8-9,11H2,1-2H3,(H,18,23)
InChIKeyMUOCOODUYJKKLA-UHFFFAOYSA-N
XLogP2.00
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide (CID 75388055) is N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide is CC(C)n1nccc1NC(=O)N1CCC(Cn2ccnn2)CC1.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is MUOCOODUYJKKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-12(2)22-14(3-6-17-22)18-15(23)20-8-4-13(5-9-20)11-21-10-7-16-19-21/h3,6-7,10,12-13H,4-5,8-9,11H2,1-2H3,(H,18,23).
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75388055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).