4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide

C23H21N7O — CID 51135316

IUPAC4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C23H21N7O/c1-28(14-18-12-26-29(16-18)15-17-5-3-2-4-6-17)23(31)19-7-9-21(10-8-19)30-22(25)20(11-24)13-27-30/h2-10,12-13,16H,14-15,25H2,1H3
InChIKeyBCIJKIPEUQVNHP-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.84
Rot. Bonds6

About 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide

4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide (PubChem CID 51135316) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide
PubChem CID51135316
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C23H21N7O/c1-28(14-18-12-26-29(16-18)15-17-5-3-2-4-6-17)23(31)19-7-9-21(10-8-19)30-22(25)20(11-24)13-27-30/h2-10,12-13,16H,14-15,25H2,1H3
InChIKeyBCIJKIPEUQVNHP-UHFFFAOYSA-N
XLogP2.84
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
4-(5-amino-4-cyanopyrazol-1-yl)benzoic acid
CID 2451195
ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 31972366
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 30767329
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide
CID 95146500
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
methyl 5-amino-1-[4-[benzyl(ethyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363473
propan-2-yl 4-(5-amino-4-cyanopyrazol-1-yl)benzoate
CID 75416841
3-[(1-benzylpyrazol-4-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-methylurea
CID 87007525
N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide
CID 31798884
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide (CID 51135316) is 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1.
What is the InChIKey of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide?
The InChIKey is BCIJKIPEUQVNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-28(14-18-12-26-29(16-18)15-17-5-3-2-4-6-17)23(31)19-7-9-21(10-8-19)30-22(25)20(11-24)13-27-30/h2-10,12-13,16H,14-15,25H2,1H3.
What are the key properties of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide?
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide has a molecular weight of 411.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 51135316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).