4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide

C10H11BrN6O2 — CID 4767722

IUPAC4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2cnn(C)c2C(N)=O)n1
InChIInChI=1S/C10H11BrN6O2/c1-16-4-5(11)7(15-16)10(19)14-6-3-13-17(2)8(6)9(12)18/h3-4H,1-2H3,(H2,12,18)(H,14,19)
InChIKeyZMVAHDBDNXCQFH-UHFFFAOYSA-N
MW327.14 g/mol
LogP0.27
Rot. Bonds3

About 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide

4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 4767722) has the molecular formula C10H11BrN6O2 and a molecular weight of 327.14 g/mol. Its IUPAC name is 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
PubChem CID4767722
Molecular FormulaC10H11BrN6O2
Molecular Weight327.14 g/mol
Exact Mass326.01
IUPAC Name4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2cnn(C)c2C(N)=O)n1
InChIInChI=1S/C10H11BrN6O2/c1-16-4-5(11)7(15-16)10(19)14-6-3-13-17(2)8(6)9(12)18/h3-4H,1-2H3,(H2,12,18)(H,14,19)
InChIKeyZMVAHDBDNXCQFH-UHFFFAOYSA-N
XLogP0.27
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262928
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4768049
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
4-bromo-1-methylpyrazole-3-carbohydrazide
CID 605116
1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
CID 19412294
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262689
1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 4865270
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 1214119
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide
CID 19577614

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide (CID 4767722) is 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)Nc2cnn(C)c2C(N)=O)n1.
What is the InChIKey of 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is ZMVAHDBDNXCQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN6O2/c1-16-4-5(11)7(15-16)10(19)14-6-3-13-17(2)8(6)9(12)18/h3-4H,1-2H3,(H2,12,18)(H,14,19).
What are the key properties of 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 327.14 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4767722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).