N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide

C24H35Cl2N5O2 — CID 42733896

IUPACN-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C24H35Cl2N5O2/c1-15(2)13-30(22(33)27-17-11-9-10-16(25)21(17)26)14-20(32)28-19-12-18(23(3,4)5)29-31(19)24(6,7)8/h9-12,15H,13-14H2,1-8H3,(H,27,33)(H,28,32)
InChIKeyVDPDOZZWTJNQNJ-UHFFFAOYSA-N
MW496.48 g/mol
LogP6.37
Rot. Bonds6

About N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide

N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide (PubChem CID 42733896) has the molecular formula C24H35Cl2N5O2 and a molecular weight of 496.48 g/mol. Its IUPAC name is N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
PubChem CID42733896
Molecular FormulaC24H35Cl2N5O2
Molecular Weight496.48 g/mol
Exact Mass495.22
IUPAC NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C24H35Cl2N5O2/c1-15(2)13-30(22(33)27-17-11-9-10-16(25)21(17)26)14-20(32)28-19-12-18(23(3,4)5)29-31(19)24(6,7)8/h9-12,15H,13-14H2,1-8H3,(H,27,33)(H,28,32)
InChIKeyVDPDOZZWTJNQNJ-UHFFFAOYSA-N
XLogP6.37
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.48
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42733897
4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 1052179
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,3-dichlorophenyl)carbamoyl-ethylamino]acetamide
CID 3918236
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(2,3-dichlorophenyl)carbamoyl-ethylamino]acetamide
CID 4008723
2-[(2-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740614
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4266555
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 1052740
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42733207
2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42733244
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42734073
N-(1,3-ditert-butylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 1052181
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,3-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]acetamide
CID 5107845

Frequently Asked Questions

What is the IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide (CID 42733896) is N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
The InChIKey is VDPDOZZWTJNQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35Cl2N5O2/c1-15(2)13-30(22(33)27-17-11-9-10-16(25)21(17)26)14-20(32)28-19-12-18(23(3,4)5)29-31(19)24(6,7)8/h9-12,15H,13-14H2,1-8H3,(H,27,33)(H,28,32).
What are the key properties of N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide has a molecular weight of 496.48 g/mol, XLogP of 6.37, 6 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-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 42733896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).