N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide

C22H23N3O2 — CID 19466973

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC(C)c2cn(C)nc2C)cc1
InChIInChI=1S/C22H23N3O2/c1-14-9-11-17(12-10-14)21(26)18-7-5-6-8-19(18)22(27)23-15(2)20-13-25(4)24-16(20)3/h5-13,15H,1-4H3,(H,23,27)
InChIKeyZCNMAUJSWGDPBN-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.76
Rot. Bonds5

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide (PubChem CID 19466973) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
PubChem CID19466973
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC(C)c2cn(C)nc2C)cc1
InChIInChI=1S/C22H23N3O2/c1-14-9-11-17(12-10-14)21(26)18-7-5-6-8-19(18)22(27)23-15(2)20-13-25(4)24-16(20)3/h5-13,15H,1-4H3,(H,23,27)
InChIKeyZCNMAUJSWGDPBN-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119944858
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 146122778
5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120624555
N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide
CID 19410634
4-[(2-bromophenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466770
3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466850
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide
CID 92613478
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide
CID 46978444
4-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 4744970

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide (CID 19466973) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)NC(C)c2cn(C)nc2C)cc1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide?
The InChIKey is ZCNMAUJSWGDPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-9-11-17(12-10-14)21(26)18-7-5-6-8-19(18)22(27)23-15(2)20-13-25(4)24-16(20)3/h5-13,15H,1-4H3,(H,23,27).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide is sourced from PubChem (CID 19466973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).