4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide

C12H12BrN3O2 — CID 139804749

IUPAC4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(-c2ccccc2)c(OC)c1Br
InChIInChI=1S/C12H12BrN3O2/c1-14-11(17)10-9(13)12(18-2)16(15-10)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,17)
InChIKeyZBNLCPFCWFHCQH-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.00
Rot. Bonds3

About 4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide

4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 139804749) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID139804749
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(-c2ccccc2)c(OC)c1Br
InChIInChI=1S/C12H12BrN3O2/c1-14-11(17)10-9(13)12(18-2)16(15-10)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,17)
InChIKeyZBNLCPFCWFHCQH-UHFFFAOYSA-N
XLogP2.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-bromo-5-tert-butyl-1-phenylpyrazole-3-carboxylate
CID 53263021
5-bromo-3-methoxycarbonyl-6-oxo-1-phenylpyridazin-4-olate
CID 51372770
phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate
CID 174766296
methyl 4-bromo-5-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-phenylpyrazole-3-carboxylate
CID 102361926
N-methyl-2-phenyltetrazole-5-carboxamide
CID 71791263
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
CID 123778473
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 26842143
4-methoxy-6-oxo-1-phenyl-N-propylpyridazine-3-carboxamide
CID 8553881
3-(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117123727
N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553640
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide (CID 139804749) is 4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide is CNC(=O)c1nn(-c2ccccc2)c(OC)c1Br.
What is the InChIKey of 4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is ZBNLCPFCWFHCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-14-11(17)10-9(13)12(18-2)16(15-10)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,17).
What are the key properties of 4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide?
4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 139804749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).