3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide

C17H15N7O — CID 53167933

IUPAC3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide
SMILESCN(C)c1cnc(-n2cc(NC(=O)c3cccc(C#N)c3)cn2)nc1
InChIInChI=1S/C17H15N7O/c1-23(2)15-9-19-17(20-10-15)24-11-14(8-21-24)22-16(25)13-5-3-4-12(6-13)7-18/h3-6,8-11H,1-2H3,(H,22,25)
InChIKeyAHQHDLYXXKDEET-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.85
Rot. Bonds4

About 3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide

3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide (PubChem CID 53167933) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide
PubChem CID53167933
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide
SMILESCN(C)c1cnc(-n2cc(NC(=O)c3cccc(C#N)c3)cn2)nc1
InChIInChI=1S/C17H15N7O/c1-23(2)15-9-19-17(20-10-15)24-11-14(8-21-24)22-16(25)13-5-3-4-12(6-13)7-18/h3-6,8-11H,1-2H3,(H,22,25)
InChIKeyAHQHDLYXXKDEET-UHFFFAOYSA-N
XLogP1.85
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide
CID 53167935
3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 30272011
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117075038
3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19411687
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-cyanobenzamide
CID 19404043
3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115377455
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 43069880
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide (CID 53167933) is 3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide is CN(C)c1cnc(-n2cc(NC(=O)c3cccc(C#N)c3)cn2)nc1.
What is the InChIKey of 3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide?
The InChIKey is AHQHDLYXXKDEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-23(2)15-9-19-17(20-10-15)24-11-14(8-21-24)22-16(25)13-5-3-4-12(6-13)7-18/h3-6,8-11H,1-2H3,(H,22,25).
What are the key properties of 3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide?
3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide has a molecular weight of 333.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 53167933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).