3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide

C14H11Br2ClN4O2 — CID 171813436

IUPAC3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide
SMILESNC(=O)c1cc(Cl)cc(Br)c1NC(=O)c1cc(Br)nn1C1CC1
InChIInChI=1S/C14H11Br2ClN4O2/c15-9-4-6(17)3-8(13(18)22)12(9)19-14(23)10-5-11(16)20-21(10)7-1-2-7/h3-5,7H,1-2H2,(H2,18,22)(H,19,23)
InChIKeyPAJDTKYXPISGLF-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.75
Rot. Bonds4

About 3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide

3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide (PubChem CID 171813436) has the molecular formula C14H11Br2ClN4O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide
PubChem CID171813436
Molecular FormulaC14H11Br2ClN4O2
Molecular Weight462.53 g/mol
Exact Mass459.89
IUPAC Name3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide
SMILESNC(=O)c1cc(Cl)cc(Br)c1NC(=O)c1cc(Br)nn1C1CC1
InChIInChI=1S/C14H11Br2ClN4O2/c15-9-4-6(17)3-8(13(18)22)12(9)19-14(23)10-5-11(16)20-21(10)7-1-2-7/h3-5,7H,1-2H2,(H2,18,22)(H,19,23)
InChIKeyPAJDTKYXPISGLF-UHFFFAOYSA-N
XLogP3.75
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(4,4-difluorocyclohexyl)pyrazole-5-carboxamide
CID 171813310
3-bromo-N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(oxolan-3-yl)pyrazole-5-carboxamide
CID 171813455
N-(2-carbamoyl-4,6-dichlorophenyl)-1-cyclopropyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
CID 171813266
3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(oxolan-3-yl)pyrazole-5-carboxamide
CID 171813220
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 171813343
3-bromo-N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 171813308
3-bromo-N-(2-carbamoyl-4,6-dichlorophenyl)-1-(2,4-difluorophenyl)pyrazole-5-carboxamide
CID 16655010
N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-(2,2-difluoroethyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 171813373
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 171813383
3-bromo-N-[2-bromo-4-chloro-6-(2-cyclopropylethylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 66601493
N-[2-(aminomethyl)-4-chloro-6-(hydrazinecarbonyl)phenyl]-1-cyclohexyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 174557103

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide?
The IUPAC name of 3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide (CID 171813436) is 3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide is NC(=O)c1cc(Cl)cc(Br)c1NC(=O)c1cc(Br)nn1C1CC1.
What is the InChIKey of 3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide?
The InChIKey is PAJDTKYXPISGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClN4O2/c15-9-4-6(17)3-8(13(18)22)12(9)19-14(23)10-5-11(16)20-21(10)7-1-2-7/h3-5,7H,1-2H2,(H2,18,22)(H,19,23).
What are the key properties of 3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide?
3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-6-carbamoyl-4-chlorophenyl)-1-cyclopropylpyrazole-5-carboxamide is sourced from PubChem (CID 171813436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).