3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate

C16H11BrN5O3- — CID 7189324

IUPAC3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate
SMILESCn1cc(Br)c(-c2cccc(NC(=O)c3nccnc3C(=O)[O-])c2)n1
InChIInChI=1S/C16H12BrN5O3/c1-22-8-11(17)12(21-22)9-3-2-4-10(7-9)20-15(23)13-14(16(24)25)19-6-5-18-13/h2-8H,1H3,(H,20,23)(H,24,25)/p-1
InChIKeyCLZSCRDQZHZKDE-UHFFFAOYSA-M
MW401.20 g/mol
LogP1.26
Rot. Bonds4

About 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate

3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate (PubChem CID 7189324) has the molecular formula C16H11BrN5O3- and a molecular weight of 401.20 g/mol. Its IUPAC name is 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Name3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate
PubChem CID7189324
Molecular FormulaC16H11BrN5O3-
Molecular Weight401.20 g/mol
Exact Mass400.01
IUPAC Name3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate
SMILESCn1cc(Br)c(-c2cccc(NC(=O)c3nccnc3C(=O)[O-])c2)n1
InChIInChI=1S/C16H12BrN5O3/c1-22-8-11(17)12(21-22)9-3-2-4-10(7-9)20-15(23)13-14(16(24)25)19-6-5-18-13/h2-8H,1H3,(H,20,23)(H,24,25)/p-1
InChIKeyCLZSCRDQZHZKDE-UHFFFAOYSA-M
XLogP1.26
TPSA112.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate 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

N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide
CID 22594939
N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 15896225
3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
CID 6989867
2-[[3-(4-bromo-1-methylpyrazol-3-yl)anilino]methylidene]propanedinitrile
CID 168545117
1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 18615997
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 107518369
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168580875
3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097609
1-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-3-(3-methylphenyl)urea
CID 1008073
4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide
CID 19577614

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate?
The IUPAC name of 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate (CID 7189324) is 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate.
What is the SMILES notation for 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate?
The canonical SMILES for 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate is Cn1cc(Br)c(-c2cccc(NC(=O)c3nccnc3C(=O)[O-])c2)n1.
What is the InChIKey of 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate?
The InChIKey is CLZSCRDQZHZKDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12BrN5O3/c1-22-8-11(17)12(21-22)9-3-2-4-10(7-9)20-15(23)13-14(16(24)25)19-6-5-18-13/h2-8H,1H3,(H,20,23)(H,24,25)/p-1.
What are the key properties of 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate?
3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate has a molecular weight of 401.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate is sourced from PubChem (CID 7189324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).