4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C17H17BrN4OS — CID 56564978

IUPAC4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3n[nH]c(C(C)C)c3Br)n2)cc1
InChIInChI=1S/C17H17BrN4OS/c1-9(2)14-13(18)15(22-21-14)16(23)20-17-19-12(8-24-17)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
InChIKeyGWVCPLSDFAMFGU-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.98
Rot. Bonds4

About 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56564978) has the molecular formula C17H17BrN4OS and a molecular weight of 405.32 g/mol. Its IUPAC name is 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56564978
Molecular FormulaC17H17BrN4OS
Molecular Weight405.32 g/mol
Exact Mass404.03
IUPAC Name4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3n[nH]c(C(C)C)c3Br)n2)cc1
InChIInChI=1S/C17H17BrN4OS/c1-9(2)14-13(18)15(22-21-14)16(23)20-17-19-12(8-24-17)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
InChIKeyGWVCPLSDFAMFGU-UHFFFAOYSA-N
XLogP4.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 40672202
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5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
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CID 16619036
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
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3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21205014
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 2999703
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CID 153338934

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56564978) is 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1ccc(-c2csc(NC(=O)c3n[nH]c(C(C)C)c3Br)n2)cc1.
What is the InChIKey of 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is GWVCPLSDFAMFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4OS/c1-9(2)14-13(18)15(22-21-14)16(23)20-17-19-12(8-24-17)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,21,22)(H,19,20,23).
What are the key properties of 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 405.32 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56564978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).