N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide

C22H21N5O2 — CID 9406480

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C22H21N5O2/c1-25(13-18-11-23-26(15-18)14-17-7-3-2-4-8-17)22(29)16-27-20-10-6-5-9-19(20)21(28)12-24-27/h2-12,15H,13-14,16H2,1H3
InChIKeyAJHSTABKRJBVMM-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.30
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 9406480) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID9406480
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C22H21N5O2/c1-25(13-18-11-23-26(15-18)14-17-7-3-2-4-8-17)22(29)16-27-20-10-6-5-9-19(20)21(28)12-24-27/h2-12,15H,13-14,16H2,1H3
InChIKeyAJHSTABKRJBVMM-UHFFFAOYSA-N
XLogP2.30
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17494264
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 55413062
N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
CID 134015451
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea
CID 17488706
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide
CID 55920417
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 31674136
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 86925735

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide (CID 9406480) is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is AJHSTABKRJBVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-25(13-18-11-23-26(15-18)14-17-7-3-2-4-8-17)22(29)16-27-20-10-6-5-9-19(20)21(28)12-24-27/h2-12,15H,13-14,16H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 9406480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).