5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide

C8H10ClN3O2 — CID 118356988

IUPAC5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCOC1)c1cc(Cl)[nH]n1
InChIInChI=1S/C8H10ClN3O2/c9-7-3-6(11-12-7)8(13)10-5-1-2-14-4-5/h3,5H,1-2,4H2,(H,10,13)(H,11,12)
InChIKeyYZGPWLLLLRJTPX-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.58
Rot. Bonds2

About 5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide

5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide (PubChem CID 118356988) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide
PubChem CID118356988
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCOC1)c1cc(Cl)[nH]n1
InChIInChI=1S/C8H10ClN3O2/c9-7-3-6(11-12-7)8(13)10-5-1-2-14-4-5/h3,5H,1-2,4H2,(H,10,13)(H,11,12)
InChIKeyYZGPWLLLLRJTPX-UHFFFAOYSA-N
XLogP0.58
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide (CID 118356988) is 5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide is O=C(NC1CCOC1)c1cc(Cl)[nH]n1.
What is the InChIKey of 5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is YZGPWLLLLRJTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-7-3-6(11-12-7)8(13)10-5-1-2-14-4-5/h3,5H,1-2,4H2,(H,10,13)(H,11,12).
What are the key properties of 5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide?
5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 215.64 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118356988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).