3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one

C8H6ClN3O — CID 170571474

IUPAC3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(-c2cn[nH]c2)c1Cl
InChIInChI=1S/C8H6ClN3O/c9-7-6(1-2-10-8(7)13)5-3-11-12-4-5/h1-4H,(H,10,13)(H,11,12)
InChIKeyBXFPNPKSQCKHEK-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.42
Rot. Bonds1

About 3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one

3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one (PubChem CID 170571474) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one
PubChem CID170571474
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(-c2cn[nH]c2)c1Cl
InChIInChI=1S/C8H6ClN3O/c9-7-6(1-2-10-8(7)13)5-3-11-12-4-5/h1-4H,(H,10,13)(H,11,12)
InChIKeyBXFPNPKSQCKHEK-UHFFFAOYSA-N
XLogP1.42
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one (CID 170571474) is 3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one is O=c1[nH]ccc(-c2cn[nH]c2)c1Cl.
What is the InChIKey of 3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
The InChIKey is BXFPNPKSQCKHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-7-6(1-2-10-8(7)13)5-3-11-12-4-5/h1-4H,(H,10,13)(H,11,12).
What are the key properties of 3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one has a molecular weight of 195.61 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 170571474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).