N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide

C14H10ClN5O — CID 56782231

IUPACN-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)c1cnccn1
InChIInChI=1S/C14H10ClN5O/c15-11-3-1-2-4-13(11)20-9-10(7-18-20)19-14(21)12-8-16-5-6-17-12/h1-9H,(H,19,21)
InChIKeyBOFKRRASUXUIMB-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.57
Rot. Bonds3

About N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide

N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 56782231) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID56782231
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)c1cnccn1
InChIInChI=1S/C14H10ClN5O/c15-11-3-1-2-4-13(11)20-9-10(7-18-20)19-14(21)12-8-16-5-6-17-12/h1-9H,(H,19,21)
InChIKeyBOFKRRASUXUIMB-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide (CID 56782231) is N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide is O=C(Nc1cnn(-c2ccccc2Cl)c1)c1cnccn1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is BOFKRRASUXUIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-11-3-1-2-4-13(11)20-9-10(7-18-20)19-14(21)12-8-16-5-6-17-12/h1-9H,(H,19,21).
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide?
N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 299.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 56782231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).