N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide

C22H31F2N5O2 — CID 42733942

IUPACN-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C22H31F2N5O2/c1-8-28(20(31)25-16-10-9-14(23)11-15(16)24)13-19(30)26-18-12-17(21(2,3)4)27-29(18)22(5,6)7/h9-12H,8,13H2,1-7H3,(H,25,31)(H,26,30)
InChIKeyRHXLNRQSLSCRHK-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.71
Rot. Bonds5

About N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide

N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide (PubChem CID 42733942) has the molecular formula C22H31F2N5O2 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide
PubChem CID42733942
Molecular FormulaC22H31F2N5O2
Molecular Weight435.52 g/mol
Exact Mass435.24
IUPAC NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C22H31F2N5O2/c1-8-28(20(31)25-16-10-9-14(23)11-15(16)24)13-19(30)26-18-12-17(21(2,3)4)27-29(18)22(5,6)7/h9-12H,8,13H2,1-7H3,(H,25,31)(H,26,30)
InChIKeyRHXLNRQSLSCRHK-UHFFFAOYSA-N
XLogP4.71
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide
CID 42733934
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide
CID 5176067
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide
CID 42733927
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide
CID 1052675
N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide
CID 5225868
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 1052756
N-butyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 42733222
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42734899
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 1056523
2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42733244
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
CID 42732187
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42733897

Frequently Asked Questions

What is the IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide?
The IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide (CID 42733942) is N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide.
What is the SMILES notation for N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide?
The canonical SMILES for N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide is CCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide?
The InChIKey is RHXLNRQSLSCRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N5O2/c1-8-28(20(31)25-16-10-9-14(23)11-15(16)24)13-19(30)26-18-12-17(21(2,3)4)27-29(18)22(5,6)7/h9-12H,8,13H2,1-7H3,(H,25,31)(H,26,30).
What are the key properties of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide?
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide has a molecular weight of 435.52 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide is sourced from PubChem (CID 42733942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).