N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide

C11H17N3O2 — CID 62759395

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)C1CCCOC1
InChIInChI=1S/C11H17N3O2/c1-7-10(8(2)14-13-7)12-11(15)9-4-3-5-16-6-9/h9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyQOUJRTDDBWBAGZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.39
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide (PubChem CID 62759395) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide
PubChem CID62759395
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)C1CCCOC1
InChIInChI=1S/C11H17N3O2/c1-7-10(8(2)14-13-7)12-11(15)9-4-3-5-16-6-9/h9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyQOUJRTDDBWBAGZ-UHFFFAOYSA-N
XLogP1.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide (CID 62759395) is N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide is Cc1n[nH]c(C)c1NC(=O)C1CCCOC1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide?
The InChIKey is QOUJRTDDBWBAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-10(8(2)14-13-7)12-11(15)9-4-3-5-16-6-9/h9H,3-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide is sourced from PubChem (CID 62759395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).