3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide

C20H25N5O — CID 19454310

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
SMILESCCn1nccc1CN(C)C(=O)c1cccc(Cn2nc(C)cc2C)c1
InChIInChI=1S/C20H25N5O/c1-5-24-19(9-10-21-24)14-23(4)20(26)18-8-6-7-17(12-18)13-25-16(3)11-15(2)22-25/h6-12H,5,13-14H2,1-4H3
InChIKeyZPCQNRZTKOTBDT-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.04
Rot. Bonds6

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide (PubChem CID 19454310) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
PubChem CID19454310
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
SMILESCCn1nccc1CN(C)C(=O)c1cccc(Cn2nc(C)cc2C)c1
InChIInChI=1S/C20H25N5O/c1-5-24-19(9-10-21-24)14-23(4)20(26)18-8-6-7-17(12-18)13-25-16(3)11-15(2)22-25/h6-12H,5,13-14H2,1-4H3
InChIKeyZPCQNRZTKOTBDT-UHFFFAOYSA-N
XLogP3.04
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide
CID 19456365
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-hydroxybutyl)-N-methylbenzamide
CID 111695849
3-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454276
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278608
N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide
CID 51102355
3-[(3-bromophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454293
N-(3-amino-2,2-dimethylpropyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119654017
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292552
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide
CID 56822003
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 19454355
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449970

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide (CID 19454310) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide is CCn1nccc1CN(C)C(=O)c1cccc(Cn2nc(C)cc2C)c1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The InChIKey is ZPCQNRZTKOTBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-5-24-19(9-10-21-24)14-23(4)20(26)18-8-6-7-17(12-18)13-25-16(3)11-15(2)22-25/h6-12H,5,13-14H2,1-4H3.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 19454310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).