5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide

C11H17N3O2 — CID 62351023

IUPAC5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-8-10(7-13-14-8)11(15)12-6-9-2-4-16-5-3-9/h7,9H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyUPADYKJIRAIPMT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.87
Rot. Bonds3

About 5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide

5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 62351023) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID62351023
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-8-10(7-13-14-8)11(15)12-6-9-2-4-16-5-3-9/h7,9H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyUPADYKJIRAIPMT-UHFFFAOYSA-N
XLogP0.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide (CID 62351023) is 5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCC1CCOCC1.
What is the InChIKey of 5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is UPADYKJIRAIPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-10(7-13-14-8)11(15)12-6-9-2-4-16-5-3-9/h7,9H,2-6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62351023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).