4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide

C13H13BrN4O2 — CID 4111029

IUPAC4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)Nc2ccccc2C(N)=O)nn1C
InChIInChI=1S/C13H13BrN4O2/c1-7-10(14)11(17-18(7)2)13(20)16-9-6-4-3-5-8(9)12(15)19/h3-6H,1-2H3,(H2,15,19)(H,16,20)
InChIKeyBYFFJUBURXSPLH-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.84
Rot. Bonds3

About 4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 4111029) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID4111029
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)Nc2ccccc2C(N)=O)nn1C
InChIInChI=1S/C13H13BrN4O2/c1-7-10(14)11(17-18(7)2)13(20)16-9-6-4-3-5-8(9)12(15)19/h3-6H,1-2H3,(H2,15,19)(H,16,20)
InChIKeyBYFFJUBURXSPLH-UHFFFAOYSA-N
XLogP1.84
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide (CID 4111029) is 4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Br)c(C(=O)Nc2ccccc2C(N)=O)nn1C.
What is the InChIKey of 4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is BYFFJUBURXSPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-7-10(14)11(17-18(7)2)13(20)16-9-6-4-3-5-8(9)12(15)19/h3-6H,1-2H3,(H2,15,19)(H,16,20).
What are the key properties of 4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 4111029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).