1-(oxan-2-yl)pyrazole-4-carboxamide

C9H13N3O2 — CID 141247468

IUPAC1-(oxan-2-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCCCO2)c1
InChIInChI=1S/C9H13N3O2/c10-9(13)7-5-11-12(6-7)8-3-1-2-4-14-8/h5-6,8H,1-4H2,(H2,10,13)
InChIKeyFLKFTXZBBYBYBU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.68
Rot. Bonds2

About 1-(oxan-2-yl)pyrazole-4-carboxamide

1-(oxan-2-yl)pyrazole-4-carboxamide (PubChem CID 141247468) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(oxan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(oxan-2-yl)pyrazole-4-carboxamide
PubChem CID141247468
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(oxan-2-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCCCO2)c1
InChIInChI=1S/C9H13N3O2/c10-9(13)7-5-11-12(6-7)8-3-1-2-4-14-8/h5-6,8H,1-4H2,(H2,10,13)
InChIKeyFLKFTXZBBYBYBU-UHFFFAOYSA-N
XLogP0.68
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(oxan-2-yl)pyrazole-4-carboxamide (CID 141247468) is 1-(oxan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(oxan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(oxan-2-yl)pyrazole-4-carboxamide is NC(=O)c1cnn(C2CCCCO2)c1.
What is the InChIKey of 1-(oxan-2-yl)pyrazole-4-carboxamide?
The InChIKey is FLKFTXZBBYBYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-9(13)7-5-11-12(6-7)8-3-1-2-4-14-8/h5-6,8H,1-4H2,(H2,10,13).
What are the key properties of 1-(oxan-2-yl)pyrazole-4-carboxamide?
1-(oxan-2-yl)pyrazole-4-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 141247468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).