2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide

C16H14ClN5O — CID 119059713

IUPAC2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide
SMILESCc1cnc(CNC(=O)c2cc(-n3cccn3)ccc2Cl)cn1
InChIInChI=1S/C16H14ClN5O/c1-11-8-19-12(9-18-11)10-20-16(23)14-7-13(3-4-15(14)17)22-6-2-5-21-22/h2-9H,10H2,1H3,(H,20,23)
InChIKeySPVQDYHQZZZORH-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.55
Rot. Bonds4

About 2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide

2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide (PubChem CID 119059713) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide
PubChem CID119059713
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide
SMILESCc1cnc(CNC(=O)c2cc(-n3cccn3)ccc2Cl)cn1
InChIInChI=1S/C16H14ClN5O/c1-11-8-19-12(9-18-11)10-20-16(23)14-7-13(3-4-15(14)17)22-6-2-5-21-22/h2-9H,10H2,1H3,(H,20,23)
InChIKeySPVQDYHQZZZORH-UHFFFAOYSA-N
XLogP2.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide?
The IUPAC name of 2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide (CID 119059713) is 2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide is Cc1cnc(CNC(=O)c2cc(-n3cccn3)ccc2Cl)cn1.
What is the InChIKey of 2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide?
The InChIKey is SPVQDYHQZZZORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-11-8-19-12(9-18-11)10-20-16(23)14-7-13(3-4-15(14)17)22-6-2-5-21-22/h2-9H,10H2,1H3,(H,20,23).
What are the key properties of 2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide?
2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide has a molecular weight of 327.78 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 119059713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).