N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide

C22H24ClN3O2 — CID 134028333

IUPACN,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1c(C)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C22H24ClN3O2/c1-17-20(21(23)26(24-17)16-19-11-7-4-8-12-19)22(27)25(13-14-28-2)15-18-9-5-3-6-10-18/h3-12H,13-16H2,1-2H3
InChIKeySSKDLUUKFHJNJD-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.18
Rot. Bonds8

About N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide

N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide (PubChem CID 134028333) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
PubChem CID134028333
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1c(C)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C22H24ClN3O2/c1-17-20(21(23)26(24-17)16-19-11-7-4-8-12-19)22(27)25(13-14-28-2)15-18-9-5-3-6-10-18/h3-12H,13-16H2,1-2H3
InChIKeySSKDLUUKFHJNJD-UHFFFAOYSA-N
XLogP4.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777237
N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 78839583
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
1-benzyl-5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylpyrazole-4-carboxamide
CID 30480679
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 8737055
1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78803331
1-benzyl-5-chloro-N-[(4-cyanophenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 39858414
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 27647040
1-benzyl-N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112817242
N-benzyl-1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78798376
5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 55370769
1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide
CID 55469052

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide (CID 134028333) is N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide is COCCN(Cc1ccccc1)C(=O)c1c(C)nn(Cc2ccccc2)c1Cl.
What is the InChIKey of N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is SSKDLUUKFHJNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-17-20(21(23)26(24-17)16-19-11-7-4-8-12-19)22(27)25(13-14-28-2)15-18-9-5-3-6-10-18/h3-12H,13-16H2,1-2H3.
What are the key properties of N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 134028333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).