4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide

C18H17BrN4O2 — CID 51130450

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide
SMILESCOc1cccnc1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C18H17BrN4O2/c1-11-16(19)12(2)23(22-11)14-8-6-13(7-9-14)18(24)21-17-15(25-3)5-4-10-20-17/h4-10H,1-3H3,(H,20,21,24)
InChIKeyUIXFGIYSNSGPSR-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.91
Rot. Bonds4

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide (PubChem CID 51130450) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide
PubChem CID51130450
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide
SMILESCOc1cccnc1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C18H17BrN4O2/c1-11-16(19)12(2)23(22-11)14-8-6-13(7-9-14)18(24)21-17-15(25-3)5-4-10-20-17/h4-10H,1-3H3,(H,20,21,24)
InChIKeyUIXFGIYSNSGPSR-UHFFFAOYSA-N
XLogP3.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide
CID 55604797
N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 55617066
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032045
methyl 3-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-2-hydroxybenzoate
CID 56543320
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 55692811
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(propanoylamino)phenyl]benzamide
CID 55787983
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)phenyl]benzamide
CID 112835326
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041619
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522602
ethyl N-[2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 56558959
N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 46408440
N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 55608701

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide (CID 51130450) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide is COc1cccnc1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide?
The InChIKey is UIXFGIYSNSGPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-11-16(19)12(2)23(22-11)14-8-6-13(7-9-14)18(24)21-17-15(25-3)5-4-10-20-17/h4-10H,1-3H3,(H,20,21,24).
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide has a molecular weight of 401.26 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 51130450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).