4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

C21H26N6O2 — CID 19339970

IUPAC4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1C(=O)N(C)C
InChIInChI=1S/C21H26N6O2/c1-6-26-19(21(29)25(4)5)18(12-22-26)23-20(28)17-9-7-16(8-10-17)13-27-15(3)11-14(2)24-27/h7-12H,6,13H2,1-5H3,(H,23,28)
InChIKeyNBFUDOUFXWXGRE-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.72
Rot. Bonds6

About 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (PubChem CID 19339970) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
PubChem CID19339970
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1C(=O)N(C)C
InChIInChI=1S/C21H26N6O2/c1-6-26-19(21(29)25(4)5)18(12-22-26)23-20(28)17-9-7-16(8-10-17)13-27-15(3)11-14(2)24-27/h7-12H,6,13H2,1-5H3,(H,23,28)
InChIKeyNBFUDOUFXWXGRE-UHFFFAOYSA-N
XLogP2.72
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide with MolForge

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19296883
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336915
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410856
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide
CID 134699691
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 48980458
4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477126
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
1-ethyl-N,N-dimethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559514
methyl 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]benzoate
CID 100584704
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (CID 19339970) is 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1C(=O)N(C)C.
What is the InChIKey of 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The InChIKey is NBFUDOUFXWXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-6-26-19(21(29)25(4)5)18(12-22-26)23-20(28)17-9-7-16(8-10-17)13-27-15(3)11-14(2)24-27/h7-12H,6,13H2,1-5H3,(H,23,28).
What are the key properties of 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19339970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).