4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide

C23H22ClN5O — CID 91908403

IUPAC4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3cccc(Cl)c3)cc2c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C23H22ClN5O/c1-16-14-29-21(22(26-16)28(2)15-17-7-4-3-5-8-17)12-20(27-29)23(30)25-13-18-9-6-10-19(24)11-18/h3-12,14H,13,15H2,1-2H3,(H,25,30)
InChIKeyYMBKUBHWOBKOJG-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.26
Rot. Bonds6

About 4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide

4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908403) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908403
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3cccc(Cl)c3)cc2c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C23H22ClN5O/c1-16-14-29-21(22(26-16)28(2)15-17-7-4-3-5-8-17)12-20(27-29)23(30)25-13-18-9-6-10-19(24)11-18/h3-12,14H,13,15H2,1-2H3,(H,25,30)
InChIKeyYMBKUBHWOBKOJG-UHFFFAOYSA-N
XLogP4.26
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908403) is 4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCc3cccc(Cl)c3)cc2c(N(C)Cc2ccccc2)n1.
What is the InChIKey of 4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is YMBKUBHWOBKOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-16-14-29-21(22(26-16)28(2)15-17-7-4-3-5-8-17)12-20(27-29)23(30)25-13-18-9-6-10-19(24)11-18/h3-12,14H,13,15H2,1-2H3,(H,25,30).
What are the key properties of 4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 419.92 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).