3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide

C19H27N3O3 — CID 56822003

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1cccc(Cn2nc(C)cc2C)c1
InChIInChI=1S/C19H27N3O3/c1-15-12-16(2)22(20-15)14-17-6-5-7-18(13-17)19(23)21(8-10-24-3)9-11-25-4/h5-7,12-13H,8-11,14H2,1-4H3
InChIKeyHHTAZVFQVJXVSH-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.28
Rot. Bonds9

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 56822003) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide
PubChem CID56822003
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1cccc(Cn2nc(C)cc2C)c1
InChIInChI=1S/C19H27N3O3/c1-15-12-16(2)22(20-15)14-17-6-5-7-18(13-17)19(23)21(8-10-24-3)9-11-25-4/h5-7,12-13H,8-11,14H2,1-4H3
InChIKeyHHTAZVFQVJXVSH-UHFFFAOYSA-N
XLogP2.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884493
N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide
CID 51102355
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-hydroxybutyl)-N-methylbenzamide
CID 111695849
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 26292074
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-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454310
N-(3-amino-2,2-dimethylpropyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119654017
3-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981417
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
CID 51128117
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331403
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902450
5-[[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226807

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide (CID 56822003) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1cccc(Cn2nc(C)cc2C)c1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is HHTAZVFQVJXVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15-12-16(2)22(20-15)14-17-6-5-7-18(13-17)19(23)21(8-10-24-3)9-11-25-4/h5-7,12-13H,8-11,14H2,1-4H3.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 345.44 g/mol, XLogP of 2.28, 9 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,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 56822003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).