N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

C22H17Br2Cl2N5O4 — CID 156635325

IUPACN-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCCN(C(C)=O)C(=O)c1cc(Cl)cc(Br)c1N(C(C)=O)C(=O)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C22H17Br2Cl2N5O4/c1-4-29(11(2)32)21(34)14-8-13(25)9-15(23)19(14)30(12(3)33)22(35)17-10-18(24)28-31(17)20-16(26)6-5-7-27-20/h5-10H,4H2,1-3H3
InChIKeyQACHFUSQOVOCEU-UHFFFAOYSA-N
MW646.12 g/mol
LogP5.30
Rot. Bonds5

About N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (PubChem CID 156635325) has the molecular formula C22H17Br2Cl2N5O4 and a molecular weight of 646.12 g/mol. Its IUPAC name is N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
PubChem CID156635325
Molecular FormulaC22H17Br2Cl2N5O4
Molecular Weight646.12 g/mol
Exact Mass642.90
IUPAC NameN-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCCN(C(C)=O)C(=O)c1cc(Cl)cc(Br)c1N(C(C)=O)C(=O)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C22H17Br2Cl2N5O4/c1-4-29(11(2)32)21(34)14-8-13(25)9-15(23)19(14)30(12(3)33)22(35)17-10-18(24)28-31(17)20-16(26)6-5-7-27-20/h5-10H,4H2,1-3H3
InChIKeyQACHFUSQOVOCEU-UHFFFAOYSA-N
XLogP5.30
TPSA105.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.12
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-acetyl-3-bromo-N-[2-bromo-4-chloro-6-[ethyl(methyl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 156635316
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-ethylamino]-5-chlorobenzoyl chloride
CID 175539002
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-ethylamino]-3,5-dichlorobenzoyl chloride
CID 175539000
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-methylamino]-3,5-dichlorobenzoyl chloride
CID 175538991
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(dimethylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide
CID 155666900
3,5-dibromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-ethylamino]benzoyl chloride
CID 175538981
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-ethylpyrazole-5-carboxamide
CID 155666892
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(diethylcarbamothioyl)phenyl]-N-methylpyrazole-5-carboxamide
CID 155666934
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide
CID 175051486
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
3-bromo-N-[2-bromo-4-chloro-6-(2-cyclopropylethylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 66601493

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (CID 156635325) is N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is CCN(C(C)=O)C(=O)c1cc(Cl)cc(Br)c1N(C(C)=O)C(=O)c1cc(Br)nn1-c1ncccc1Cl.
What is the InChIKey of N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is QACHFUSQOVOCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Br2Cl2N5O4/c1-4-29(11(2)32)21(34)14-8-13(25)9-15(23)19(14)30(12(3)33)22(35)17-10-18(24)28-31(17)20-16(26)6-5-7-27-20/h5-10H,4H2,1-3H3.
What are the key properties of N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 646.12 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 156635325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).