4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide

C14H15BrN4O2 — CID 75537903

IUPAC4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(Br)cc2)c1C(N)=O
InChIInChI=1S/C14H15BrN4O2/c1-3-19-12(13(16)20)11(8(2)18-19)17-14(21)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeySNWIGFYRNFFILJ-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.33
Rot. Bonds4

About 4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide

4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 75537903) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID75537903
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(Br)cc2)c1C(N)=O
InChIInChI=1S/C14H15BrN4O2/c1-3-19-12(13(16)20)11(8(2)18-19)17-14(21)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeySNWIGFYRNFFILJ-UHFFFAOYSA-N
XLogP2.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2,5-dimethyl-N-[(E)-1-[4-(propanoylamino)phenyl]ethylideneamino]pyrazole-3-carboxamide
CID 5432306
N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 2747063
1-Ethyl-3-methyl-5-phenyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626436
N-(3-acetylphenyl)-4-bromo-1-ethyl-1H-pyrazole-5-carboxamide
CID 892251
1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832627
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide
CID 916063
5-(4-bromophenyl)-4-methyl-1-pentyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 44282639
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide
CID 2821438
3-Bromo-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]benzamide
CID 916124
4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide
CID 1036832
1-(4-Bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 10902440
5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135399685

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide (CID 75537903) is 4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(NC(=O)c2ccc(Br)cc2)c1C(N)=O.
What is the InChIKey of 4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is SNWIGFYRNFFILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-3-19-12(13(16)20)11(8(2)18-19)17-14(21)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3,(H2,16,20)(H,17,21).
What are the key properties of 4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide?
4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 75537903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).