4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide

C15H15BrN6O3 — CID 19398223

IUPAC4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)Cn2cc(Br)cn2)c1C(=O)NCc1ccco1
InChIInChI=1S/C15H15BrN6O3/c1-21-14(15(24)17-6-11-3-2-4-25-11)12(7-18-21)20-13(23)9-22-8-10(16)5-19-22/h2-5,7-8H,6,9H2,1H3,(H,17,24)(H,20,23)
InChIKeyBSPZMGQBZANXNV-UHFFFAOYSA-N
MW407.23 g/mol
LogP1.54
Rot. Bonds6

About 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide

4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 19398223) has the molecular formula C15H15BrN6O3 and a molecular weight of 407.23 g/mol. Its IUPAC name is 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
PubChem CID19398223
Molecular FormulaC15H15BrN6O3
Molecular Weight407.23 g/mol
Exact Mass406.04
IUPAC Name4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)Cn2cc(Br)cn2)c1C(=O)NCc1ccco1
InChIInChI=1S/C15H15BrN6O3/c1-21-14(15(24)17-6-11-3-2-4-25-11)12(7-18-21)20-13(23)9-22-8-10(16)5-19-22/h2-5,7-8H,6,9H2,1H3,(H,17,24)(H,20,23)
InChIKeyBSPZMGQBZANXNV-UHFFFAOYSA-N
XLogP1.54
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502280
4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19561846
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406183
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398172
2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504711
4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398159
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
4-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398213
1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483225
1-[1-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506277

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide (CID 19398223) is 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)Cn2cc(Br)cn2)c1C(=O)NCc1ccco1.
What is the InChIKey of 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is BSPZMGQBZANXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O3/c1-21-14(15(24)17-6-11-3-2-4-25-11)12(7-18-21)20-13(23)9-22-8-10(16)5-19-22/h2-5,7-8H,6,9H2,1H3,(H,17,24)(H,20,23).
What are the key properties of 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 407.23 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19398223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).