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

C8H10ClN3O2 — CID 130751470

IUPACN-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1COCC1Cl)c1cn[nH]c1
InChIInChI=1S/C8H10ClN3O2/c9-6-3-14-4-7(6)12-8(13)5-1-10-11-2-5/h1-2,6-7H,3-4H2,(H,10,11)(H,12,13)
InChIKeyYCTGFASVNZLFEF-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.15
Rot. Bonds2

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

N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 130751470) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID130751470
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC NameN-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1COCC1Cl)c1cn[nH]c1
InChIInChI=1S/C8H10ClN3O2/c9-6-3-14-4-7(6)12-8(13)5-1-10-11-2-5/h1-2,6-7H,3-4H2,(H,10,11)(H,12,13)
InChIKeyYCTGFASVNZLFEF-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide (CID 130751470) is N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide is O=C(NC1COCC1Cl)c1cn[nH]c1.
What is the InChIKey of N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is YCTGFASVNZLFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-6-3-14-4-7(6)12-8(13)5-1-10-11-2-5/h1-2,6-7H,3-4H2,(H,10,11)(H,12,13).
What are the key properties of N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide?
N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 215.64 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 130751470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).