N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide

C24H23N7O — CID 58366978

IUPACN-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1-n1cc(-c2cnn(C)c2)nn1
InChIInChI=1S/C24H23N7O/c1-16-8-9-17(23(32)27-20-7-5-6-19(11-20)24(2,3)15-25)10-22(16)31-14-21(28-29-31)18-12-26-30(4)13-18/h5-14H,1-4H3,(H,27,32)
InChIKeyXCFSJHHNNWAPAN-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.03
Rot. Bonds5

About N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide

N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide (PubChem CID 58366978) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide
PubChem CID58366978
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC NameN-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1-n1cc(-c2cnn(C)c2)nn1
InChIInChI=1S/C24H23N7O/c1-16-8-9-17(23(32)27-20-7-5-6-19(11-20)24(2,3)15-25)10-22(16)31-14-21(28-29-31)18-12-26-30(4)13-18/h5-14H,1-4H3,(H,27,32)
InChIKeyXCFSJHHNNWAPAN-UHFFFAOYSA-N
XLogP4.03
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide
CID 25172460
2-methyl-2-[3-[2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]acetyl]phenyl]propanenitrile
CID 58366797
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-1-yl]phenyl]benzamide
CID 154688758
N-[3-[1-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]pyrazol-4-yl]-4-pyridinyl]-3-methyloxetane-3-carboxamide
CID 154688692
4-methyl-3-(4-pyridin-3-yltriazol-1-yl)-N-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 58366546
3-(2-cyanopropan-2-yl)-N-[5-[4-[5-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]triazol-1-yl]-6-methyl-3-pyridinyl]benzamide
CID 67356341
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[4-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]benzamide
CID 154688829
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide
CID 58366979
3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]benzamide
CID 58366825
1-N-[3-(2-cyanopropan-2-yl)phenyl]-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
CID 67007572
4-methyl-3-[4-(4-methylphenyl)triazol-1-yl]benzoic acid
CID 82369930
N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]benzamide
CID 135218375

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?
The IUPAC name of N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide (CID 58366978) is N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide.
What is the SMILES notation for N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?
The canonical SMILES for N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1-n1cc(-c2cnn(C)c2)nn1.
What is the InChIKey of N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?
The InChIKey is XCFSJHHNNWAPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-16-8-9-17(23(32)27-20-7-5-6-19(11-20)24(2,3)15-25)10-22(16)31-14-21(28-29-31)18-12-26-30(4)13-18/h5-14H,1-4H3,(H,27,32).
What are the key properties of N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?
N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide has a molecular weight of 425.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 58366978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).