(2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide

C23H33ClN4O2 — CID 1060811

IUPAC(2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C(=O)[C@@H](C)Cl)C(C)C)c1C
InChIInChI=1S/C23H33ClN4O2/c1-14(2)27(22(30)17(5)24)13-21(29)25-20-12-19(23(6,7)8)26-28(20)18-11-9-10-15(3)16(18)4/h9-12,14,17H,13H2,1-8H3,(H,25,29)/t17-/m1/s1
InChIKeyOGQMXHUKRNJNGY-QGZVFWFLSA-N
MW433.00 g/mol
LogP4.59
Rot. Bonds6

About (2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide

(2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide (PubChem CID 1060811) has the molecular formula C23H33ClN4O2 and a molecular weight of 433.00 g/mol. Its IUPAC name is (2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide
PubChem CID1060811
Molecular FormulaC23H33ClN4O2
Molecular Weight433.00 g/mol
Exact Mass432.23
IUPAC Name(2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C(=O)[C@@H](C)Cl)C(C)C)c1C
InChIInChI=1S/C23H33ClN4O2/c1-14(2)27(22(30)17(5)24)13-21(29)25-20-12-19(23(6,7)8)26-28(20)18-11-9-10-15(3)16(18)4/h9-12,14,17H,13H2,1-8H3,(H,25,29)/t17-/m1/s1
InChIKeyOGQMXHUKRNJNGY-QGZVFWFLSA-N
XLogP4.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 42740974
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 4036059
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[dimethylcarbamoyl(propyl)amino]acetamide
CID 1062337
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide
CID 1060878
N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-2,2-dimethyl-N-propylpropanamide
CID 4314731
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 42731375
ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate
CID 4545362
N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 1060824
N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42740865
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propylpropanamide
CID 3536089
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 1052740
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 1056408

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide (CID 1060811) is (2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide is Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C(=O)[C@@H](C)Cl)C(C)C)c1C.
What is the InChIKey of (2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide?
The InChIKey is OGQMXHUKRNJNGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H33ClN4O2/c1-14(2)27(22(30)17(5)24)13-21(29)25-20-12-19(23(6,7)8)26-28(20)18-11-9-10-15(3)16(18)4/h9-12,14,17H,13H2,1-8H3,(H,25,29)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide?
(2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide has a molecular weight of 433.00 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide is sourced from PubChem (CID 1060811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).