3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide

C20H16ClN5O — CID 59726015

IUPAC3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(Cl)nncc2c1
InChIInChI=1S/C20H16ClN5O/c1-12-3-4-14(20(27)24-18-7-8-23-26(18)2)10-17(12)13-5-6-16-15(9-13)11-22-25-19(16)21/h3-11H,1-2H3,(H,24,27)
InChIKeyVAAQTQZMMRPSJQ-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.24
Rot. Bonds3

About 3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide

3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 59726015) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
PubChem CID59726015
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(Cl)nncc2c1
InChIInChI=1S/C20H16ClN5O/c1-12-3-4-14(20(27)24-18-7-8-23-26(18)2)10-17(12)13-5-6-16-15(9-13)11-22-25-19(16)21/h3-11H,1-2H3,(H,24,27)
InChIKeyVAAQTQZMMRPSJQ-UHFFFAOYSA-N
XLogP4.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 145996526
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CID 57411674
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CID 1509347
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CID 24793280
CID 24793280
CID 24793873
CID 24793873
CID 24817303
CID 24817303
CID 24818855
CID 24818855
CID 24793136
CID 24793136
CID 73335359
CID 73335359
CID 73386864
CID 73386864

Frequently Asked Questions

What is the IUPAC name of 3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide (CID 59726015) is 3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(Cl)nncc2c1.
What is the InChIKey of 3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is VAAQTQZMMRPSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-12-3-4-14(20(27)24-18-7-8-23-26(18)2)10-17(12)13-5-6-16-15(9-13)11-22-25-19(16)21/h3-11H,1-2H3,(H,24,27).
What are the key properties of 3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 377.84 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chlorophthalazin-6-yl)-4-methyl-N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 59726015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).