4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile

C19H14N6O — CID 156860223

IUPAC4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile
SMILESCc1[nH]n(-c2ccc(-n3cccn3)cn2)c(=O)c1-c1ccc(C#N)cc1
InChIInChI=1S/C19H14N6O/c1-13-18(15-5-3-14(11-20)4-6-15)19(26)25(23-13)17-8-7-16(12-21-17)24-10-2-9-22-24/h2-10,12,23H,1H3
InChIKeyHWNBEAVSFLIPDB-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.59
Rot. Bonds3

About 4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile

4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile (PubChem CID 156860223) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile
PubChem CID156860223
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile
SMILESCc1[nH]n(-c2ccc(-n3cccn3)cn2)c(=O)c1-c1ccc(C#N)cc1
InChIInChI=1S/C19H14N6O/c1-13-18(15-5-3-14(11-20)4-6-15)19(26)25(23-13)17-8-7-16(12-21-17)24-10-2-9-22-24/h2-10,12,23H,1H3
InChIKeyHWNBEAVSFLIPDB-UHFFFAOYSA-N
XLogP2.59
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-methyl-3-oxo-2-(5-sulfanyl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile
CID 156860155
4-[3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile
CID 156860318
4-[2-[5-[(R)-ethenylsulfinyl]-2-pyridinyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]benzonitrile
CID 166754627
ethane;methanamine;N-methylmethanamine;4-[5-methyl-3-oxo-2-(5-sulfanyl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile
CID 156860247
4-[2-[5-(dimethylaminosulfonimidoyl)-2-pyridinyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]benzonitrile
CID 156860208
4-[2-[5-[(S)-cyclopropylsulfinimidoyl]-2-pyridinyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]benzonitrile
CID 174065227
4-[bis[4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)phenyl]methyl]benzonitrile
CID 102311650
5-pyrazol-1-ylpyridine-2-carbonitrile
CID 115487796
6-[4-(4-isocyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide
CID 168752717
6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 47053874
5-(dimethylsulfamoylamino)-2-[4-(4-isocyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine
CID 168752694
N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
CID 163316015

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile?
The IUPAC name of 4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile (CID 156860223) is 4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile?
The canonical SMILES for 4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile is Cc1[nH]n(-c2ccc(-n3cccn3)cn2)c(=O)c1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile?
The InChIKey is HWNBEAVSFLIPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c1-13-18(15-5-3-14(11-20)4-6-15)19(26)25(23-13)17-8-7-16(12-21-17)24-10-2-9-22-24/h2-10,12,23H,1H3.
What are the key properties of 4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile?
4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile has a molecular weight of 342.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile is sourced from PubChem (CID 156860223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).