1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide

C21H26Cl2N4O2 — CID 52639892

IUPAC1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1
InChIInChI=1S/C21H26Cl2N4O2/c1-5-26(12-18(28)24-19-14(22)7-6-8-15(19)23)20(29)16-11-17(13-9-10-13)27(25-16)21(2,3)4/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,24,28)
InChIKeyQPFUVFWIDWTRDY-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.92
Rot. Bonds6

About 1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide (PubChem CID 52639892) has the molecular formula C21H26Cl2N4O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide
PubChem CID52639892
Molecular FormulaC21H26Cl2N4O2
Molecular Weight437.37 g/mol
Exact Mass436.14
IUPAC Name1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1
InChIInChI=1S/C21H26Cl2N4O2/c1-5-26(12-18(28)24-19-14(22)7-6-8-15(19)23)20(29)16-11-17(13-9-10-13)27(25-16)21(2,3)4/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,24,28)
InChIKeyQPFUVFWIDWTRDY-UHFFFAOYSA-N
XLogP4.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 34374149
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 31713038
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 51269887
2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42733244
N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide
CID 56817946
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
1-tert-butyl-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 154834715
1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
CID 55876153
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 19520254
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 55760078

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide (CID 52639892) is 1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide?
The InChIKey is QPFUVFWIDWTRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4O2/c1-5-26(12-18(28)24-19-14(22)7-6-8-15(19)23)20(29)16-11-17(13-9-10-13)27(25-16)21(2,3)4/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,24,28).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide has a molecular weight of 437.37 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 52639892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).