3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide

C18H23BrClN5O — CID 171679473

IUPAC3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCC1(C)CC(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC(C)(C)N1
InChIInChI=1S/C18H23BrClN5O/c1-17(2)9-11(10-18(3,4)24-17)22-16(26)13-8-14(19)23-25(13)15-12(20)6-5-7-21-15/h5-8,11,24H,9-10H2,1-4H3,(H,22,26)
InChIKeyTYQCYXSCHFVPHT-UHFFFAOYSA-N
MW440.77 g/mol
LogP3.72
Rot. Bonds3

About 3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide

3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide (PubChem CID 171679473) has the molecular formula C18H23BrClN5O and a molecular weight of 440.77 g/mol. Its IUPAC name is 3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
PubChem CID171679473
Molecular FormulaC18H23BrClN5O
Molecular Weight440.77 g/mol
Exact Mass439.08
IUPAC Name3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCC1(C)CC(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC(C)(C)N1
InChIInChI=1S/C18H23BrClN5O/c1-17(2)9-11(10-18(3,4)24-17)22-16(26)13-8-14(19)23-25(13)15-12(20)6-5-7-21-15/h5-8,11,24H,9-10H2,1-4H3,(H,22,26)
InChIKeyTYQCYXSCHFVPHT-UHFFFAOYSA-N
XLogP3.72
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.77
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 178066257
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3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
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CID 67184068
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CID 59549458
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
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3-bromo-1-(3-chloro-2-pyridinyl)-N-[1-(phenylcarbamoyl)cyclohexyl]pyrazole-5-carboxamide
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3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 143745304
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
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3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-2,6-dichloro-N-methylpyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide (CID 171679473) is 3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide is CC1(C)CC(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC(C)(C)N1.
What is the InChIKey of 3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide?
The InChIKey is TYQCYXSCHFVPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrClN5O/c1-17(2)9-11(10-18(3,4)24-17)22-16(26)13-8-14(19)23-25(13)15-12(20)6-5-7-21-15/h5-8,11,24H,9-10H2,1-4H3,(H,22,26).
What are the key properties of 3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide?
3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide has a molecular weight of 440.77 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 171679473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).