4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide

C10H9BrN4O3 — CID 4768049

IUPAC4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2ccc(Br)o2)c1C(N)=O
InChIInChI=1S/C10H9BrN4O3/c1-15-8(9(12)16)5(4-13-15)14-10(17)6-2-3-7(11)18-6/h2-4H,1H3,(H2,12,16)(H,14,17)
InChIKeyHCWOVVYQUBHCFQ-UHFFFAOYSA-N
MW313.11 g/mol
LogP1.13
Rot. Bonds3

About 4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide

4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide (PubChem CID 4768049) has the molecular formula C10H9BrN4O3 and a molecular weight of 313.11 g/mol. Its IUPAC name is 4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide
PubChem CID4768049
Molecular FormulaC10H9BrN4O3
Molecular Weight313.11 g/mol
Exact Mass311.99
IUPAC Name4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2ccc(Br)o2)c1C(N)=O
InChIInChI=1S/C10H9BrN4O3/c1-15-8(9(12)16)5(4-13-15)14-10(17)6-2-3-7(11)18-6/h2-4H,1H3,(H2,12,16)(H,14,17)
InChIKeyHCWOVVYQUBHCFQ-UHFFFAOYSA-N
XLogP1.13
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 19412346
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 4767722
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 4865270
1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
CID 19412294
3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490170
4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412367
1-ethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 4772781
N-(5-carbamoyl-1-methylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 4862758
4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406021

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide (CID 4768049) is 4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)c2ccc(Br)o2)c1C(N)=O.
What is the InChIKey of 4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is HCWOVVYQUBHCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O3/c1-15-8(9(12)16)5(4-13-15)14-10(17)6-2-3-7(11)18-6/h2-4H,1H3,(H2,12,16)(H,14,17).
What are the key properties of 4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide?
4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 313.11 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4768049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).