4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide

C20H23BrF2N8O2 — CID 19524156

IUPAC4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C20H23BrF2N8O2/c1-4-30-18(20(33)27-12-7-24-29(3)10(12)2)13(8-25-30)26-14(32)9-31-17(11-5-6-11)15(21)16(28-31)19(22)23/h7-8,11,19H,4-6,9H2,1-3H3,(H,26,32)(H,27,33)
InChIKeyNGDBRBPSQGRZEX-UHFFFAOYSA-N
MW525.36 g/mol
LogP3.61
Rot. Bonds8

About 4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide

4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide (PubChem CID 19524156) has the molecular formula C20H23BrF2N8O2 and a molecular weight of 525.36 g/mol. Its IUPAC name is 4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
PubChem CID19524156
Molecular FormulaC20H23BrF2N8O2
Molecular Weight525.36 g/mol
Exact Mass524.11
IUPAC Name4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C20H23BrF2N8O2/c1-4-30-18(20(33)27-12-7-24-29(3)10(12)2)13(8-25-30)26-14(32)9-31-17(11-5-6-11)15(21)16(28-31)19(22)23/h7-8,11,19H,4-6,9H2,1-3H3,(H,26,32)(H,27,33)
InChIKeyNGDBRBPSQGRZEX-UHFFFAOYSA-N
XLogP3.61
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19517651
4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19519602
5-cyclopropyl-7-(difluoromethyl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455693
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19477417
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 19523970
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-5-methylphenyl]acetamide
CID 19524053
4-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19538352
4-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19529522
4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262928
4-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19523244
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559513
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
CID 19524178

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide (CID 19524156) is 4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)c1C(=O)Nc1cnn(C)c1C.
What is the InChIKey of 4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is NGDBRBPSQGRZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrF2N8O2/c1-4-30-18(20(33)27-12-7-24-29(3)10(12)2)13(8-25-30)26-14(32)9-31-17(11-5-6-11)15(21)16(28-31)19(22)23/h7-8,11,19H,4-6,9H2,1-3H3,(H,26,32)(H,27,33).
What are the key properties of 4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide?
4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 525.36 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19524156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).