N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

C8H11N3O2 — CID 80713680

IUPACN-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCOC1)c1cn[nH]c1
InChIInChI=1S/C8H11N3O2/c12-8(6-3-9-10-4-6)11-7-1-2-13-5-7/h3-4,7H,1-2,5H2,(H,9,10)(H,11,12)
InChIKeyOVXVGRGVCDEXAQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.07
Rot. Bonds2

About N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 80713680) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID80713680
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCOC1)c1cn[nH]c1
InChIInChI=1S/C8H11N3O2/c12-8(6-3-9-10-4-6)11-7-1-2-13-5-7/h3-4,7H,1-2,5H2,(H,9,10)(H,11,12)
InChIKeyOVXVGRGVCDEXAQ-UHFFFAOYSA-N
XLogP-0.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (CID 80713680) is N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is O=C(NC1CCOC1)c1cn[nH]c1.
What is the InChIKey of N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is OVXVGRGVCDEXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(6-3-9-10-4-6)11-7-1-2-13-5-7/h3-4,7H,1-2,5H2,(H,9,10)(H,11,12).
What are the key properties of N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 80713680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).