1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide

C20H19Br2ClN6O3 — CID 145498245

IUPAC1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCONNC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(C(C)C)nn1-c1ncccc1Cl
InChIInChI=1S/C20H19Br2ClN6O3/c1-10(2)15-9-16(29(27-15)18-14(23)5-4-6-24-18)20(31)25-17-12(19(30)26-28-32-3)7-11(21)8-13(17)22/h4-10,28H,1-3H3,(H,25,31)(H,26,30)
InChIKeyBSCSQGFGJVCYIJ-UHFFFAOYSA-N
MW586.67 g/mol
LogP4.62
Rot. Bonds7

About 1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 145498245) has the molecular formula C20H19Br2ClN6O3 and a molecular weight of 586.67 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID145498245
Molecular FormulaC20H19Br2ClN6O3
Molecular Weight586.67 g/mol
Exact Mass583.96
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCONNC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(C(C)C)nn1-c1ncccc1Cl
InChIInChI=1S/C20H19Br2ClN6O3/c1-10(2)15-9-16(29(27-15)18-14(23)5-4-6-24-18)20(31)25-17-12(19(30)26-28-32-3)7-11(21)8-13(17)22/h4-10,28H,1-3H3,(H,25,31)(H,26,30)
InChIKeyBSCSQGFGJVCYIJ-UHFFFAOYSA-N
XLogP4.62
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.67
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(methoxycarbamoyl)phenyl]pyrazole-5-carboxamide
CID 141466648
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(prop-2-ynoxyamino)carbamoyl]phenyl]pyrazole-5-carboxamide
CID 145498305
1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[[(2E)-2-methoxyiminoethyl]carbamoyl]phenyl]-3-(difluoromethyl)pyrazole-5-carboxamide
CID 78321920
methyl N-[[3,5-dibromo-2-[[4-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]carbamate
CID 59286947
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[[carbamoyl(methyl)amino]carbamoyl]phenyl]pyrazole-5-carboxamide
CID 158584707
methyl N-[[3,5-dibromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]benzoyl]-ethylamino]carbamate
CID 46865100
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[dimethylamino(ethyl)carbamoyl]phenyl]pyrazole-5-carboxamide
CID 134562069
methyl N-[[3,5-dibromo-2-[[1-(3-chloro-2-pyridinyl)-5-methylsulfanylpyrrole-2-carbonyl]amino]benzoyl]amino]carbamate
CID 59286872
methyl N-[[3,5-dibromo-2-[[1-(3-chloro-2-pyridinyl)-5-methylsulfonylpyrrole-2-carbonyl]amino]benzoyl]amino]carbamate
CID 59286907
[[3,5-dibromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]benzoyl]-ethylamino]-ethylcarbamic acid
CID 89488386
1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(ethylsulfanylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 72547850
N-[2-bromo-4-chloro-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202211

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 145498245) is 1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide is CONNC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(C(C)C)nn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is BSCSQGFGJVCYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br2ClN6O3/c1-10(2)15-9-16(29(27-15)18-14(23)5-4-6-24-18)20(31)25-17-12(19(30)26-28-32-3)7-11(21)8-13(17)22/h4-10,28H,1-3H3,(H,25,31)(H,26,30).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 586.67 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[(methoxyamino)carbamoyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 145498245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).