(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide

C20H23ClN4OS — CID 51597984

IUPAC(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1nn(C[C@@H](C)C(=O)NCCc2nc(-c3ccccc3)cs2)c(C)c1Cl
InChIInChI=1S/C20H23ClN4OS/c1-13(11-25-15(3)19(21)14(2)24-25)20(26)22-10-9-18-23-17(12-27-18)16-7-5-4-6-8-16/h4-8,12-13H,9-11H2,1-3H3,(H,22,26)/t13-/m1/s1
InChIKeyLOPVRSYQYQROKT-CYBMUJFWSA-N
MW402.95 g/mol
LogP4.27
Rot. Bonds7

About (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide

(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 51597984) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID51597984
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC Name(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1nn(C[C@@H](C)C(=O)NCCc2nc(-c3ccccc3)cs2)c(C)c1Cl
InChIInChI=1S/C20H23ClN4OS/c1-13(11-25-15(3)19(21)14(2)24-25)20(26)22-10-9-18-23-17(12-27-18)16-7-5-4-6-8-16/h4-8,12-13H,9-11H2,1-3H3,(H,22,26)/t13-/m1/s1
InChIKeyLOPVRSYQYQROKT-CYBMUJFWSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 46971844
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 45154227
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N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
CID 39071719
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
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CID 79016244
(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 39854745
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 51597984) is (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is Cc1nn(C[C@@H](C)C(=O)NCCc2nc(-c3ccccc3)cs2)c(C)c1Cl.
What is the InChIKey of (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is LOPVRSYQYQROKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23ClN4OS/c1-13(11-25-15(3)19(21)14(2)24-25)20(26)22-10-9-18-23-17(12-27-18)16-7-5-4-6-8-16/h4-8,12-13H,9-11H2,1-3H3,(H,22,26)/t13-/m1/s1.
What are the key properties of (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 402.95 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 51597984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).