4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide

C20H24N4OS — CID 95897931

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3nc(C)sc3C)cc2)n1
InChIInChI=1S/C20H24N4OS/c1-12-10-13(2)24(23-12)11-17-6-8-18(9-7-17)20(25)21-14(3)19-15(4)26-16(5)22-19/h6-10,14H,11H2,1-5H3,(H,21,25)/t14-/m0/s1
InChIKeySNWVAPROSZTUBY-AWEZNQCLSA-N
MW368.51 g/mol
LogP4.11
Rot. Bonds5

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 95897931) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID95897931
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3nc(C)sc3C)cc2)n1
InChIInChI=1S/C20H24N4OS/c1-12-10-13(2)24(23-12)11-17-6-8-18(9-7-17)20(25)21-14(3)19-15(4)26-16(5)22-19/h6-10,14H,11H2,1-5H3,(H,21,25)/t14-/m0/s1
InChIKeySNWVAPROSZTUBY-AWEZNQCLSA-N
XLogP4.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331
(2S,3S)-2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-3-methylpentanoic acid
CID 119194190
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 99646890
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 49080458
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100584519
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100585501
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19294390
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 56882872
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1R)-1-(2-methylphenyl)propyl]benzamide
CID 100586569
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]benzamide
CID 100586131
2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 100585086
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-4-phenylbutanoic acid
CID 119201245

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 95897931) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3nc(C)sc3C)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is SNWVAPROSZTUBY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-12-10-13(2)24(23-12)11-17-6-8-18(9-7-17)20(25)21-14(3)19-15(4)26-16(5)22-19/h6-10,14H,11H2,1-5H3,(H,21,25)/t14-/m0/s1.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 368.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 95897931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).