1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide

C8H6ClN5O — CID 64781374

IUPAC1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccnc(Cl)n2)n1
InChIInChI=1S/C8H6ClN5O/c9-8-11-3-1-6(12-8)14-4-2-5(13-14)7(10)15/h1-4H,(H2,10,15)
InChIKeyAYEWMHLYFJCEDB-UHFFFAOYSA-N
MW223.62 g/mol
LogP0.41
Rot. Bonds2

About 1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide

1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide (PubChem CID 64781374) has the molecular formula C8H6ClN5O and a molecular weight of 223.62 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide
PubChem CID64781374
Molecular FormulaC8H6ClN5O
Molecular Weight223.62 g/mol
Exact Mass223.03
IUPAC Name1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccnc(Cl)n2)n1
InChIInChI=1S/C8H6ClN5O/c9-8-11-3-1-6(12-8)14-4-2-5(13-14)7(10)15/h1-4H,(H2,10,15)
InChIKeyAYEWMHLYFJCEDB-UHFFFAOYSA-N
XLogP0.41
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide (CID 64781374) is 1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ccnc(Cl)n2)n1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is AYEWMHLYFJCEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5O/c9-8-11-3-1-6(12-8)14-4-2-5(13-14)7(10)15/h1-4H,(H2,10,15).
What are the key properties of 1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide?
1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 223.62 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 64781374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).