4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

C18H17BrF2N6O3 — CID 19336834

IUPAC4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCn1cc(CNC(=O)c2c(NC(=O)c3cc(Br)ccc3OC(F)F)cnn2C)cn1
InChIInChI=1S/C18H17BrF2N6O3/c1-26-9-10(7-23-26)6-22-17(29)15-13(8-24-27(15)2)25-16(28)12-5-11(19)3-4-14(12)30-18(20)21/h3-5,7-9,18H,6H2,1-2H3,(H,22,29)(H,25,28)
InChIKeyGRJNONINLMKTPX-UHFFFAOYSA-N
MW483.27 g/mol
LogP2.70
Rot. Bonds7

About 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 19336834) has the molecular formula C18H17BrF2N6O3 and a molecular weight of 483.27 g/mol. Its IUPAC name is 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
PubChem CID19336834
Molecular FormulaC18H17BrF2N6O3
Molecular Weight483.27 g/mol
Exact Mass482.05
IUPAC Name4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCn1cc(CNC(=O)c2c(NC(=O)c3cc(Br)ccc3OC(F)F)cnn2C)cn1
InChIInChI=1S/C18H17BrF2N6O3/c1-26-9-10(7-23-26)6-22-17(29)15-13(8-24-27(15)2)25-16(28)12-5-11(19)3-4-14(12)30-18(20)21/h3-5,7-9,18H,6H2,1-2H3,(H,22,29)(H,25,28)
InChIKeyGRJNONINLMKTPX-UHFFFAOYSA-N
XLogP2.70
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292362
5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399689
4-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19475210
4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336742
4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336835
4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19537728
7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447129
7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19336951
4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341835
4-[(4-chlorophenyl)carbamoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19449703
4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336853
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19336777

Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (CID 19336834) is 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is Cn1cc(CNC(=O)c2c(NC(=O)c3cc(Br)ccc3OC(F)F)cnn2C)cn1.
What is the InChIKey of 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is GRJNONINLMKTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N6O3/c1-26-9-10(7-23-26)6-22-17(29)15-13(8-24-27(15)2)25-16(28)12-5-11(19)3-4-14(12)30-18(20)21/h3-5,7-9,18H,6H2,1-2H3,(H,22,29)(H,25,28).
What are the key properties of 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 483.27 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19336834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).