3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide

C17H20ClN5O — CID 19568517

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
SMILESCc1nn(CC(C)C(=O)Nc2nc3ccccc3n2C)c(C)c1Cl
InChIInChI=1S/C17H20ClN5O/c1-10(9-23-12(3)15(18)11(2)21-23)16(24)20-17-19-13-7-5-6-8-14(13)22(17)4/h5-8,10H,9H2,1-4H3,(H,19,20,24)
InChIKeyNWQSTNNUSYWFJH-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.31
Rot. Bonds4

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide (PubChem CID 19568517) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
PubChem CID19568517
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
SMILESCc1nn(CC(C)C(=O)Nc2nc3ccccc3n2C)c(C)c1Cl
InChIInChI=1S/C17H20ClN5O/c1-10(9-23-12(3)15(18)11(2)21-23)16(24)20-17-19-13-7-5-6-8-14(13)22(17)4/h5-8,10H,9H2,1-4H3,(H,19,20,24)
InChIKeyNWQSTNNUSYWFJH-UHFFFAOYSA-N
XLogP3.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35528656
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 19448372
(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528025
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528028
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 19568656
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19568696
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
CID 19286049
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19535702
(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 35526261
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412394
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 45154227
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 19568663

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide (CID 19568517) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide is Cc1nn(CC(C)C(=O)Nc2nc3ccccc3n2C)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide?
The InChIKey is NWQSTNNUSYWFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-10(9-23-12(3)15(18)11(2)21-23)16(24)20-17-19-13-7-5-6-8-14(13)22(17)4/h5-8,10H,9H2,1-4H3,(H,19,20,24).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 19568517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).