2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide

C15H16BrF2N3O2 — CID 19551400

IUPAC2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(OC(F)F)cc1C)n1cc(Br)cn1
InChIInChI=1S/C15H16BrF2N3O2/c1-3-13(21-8-10(16)7-19-21)14(22)20-12-5-4-11(6-9(12)2)23-15(17)18/h4-8,13,15H,3H2,1-2H3,(H,20,22)
InChIKeyGPNTVMVMZZHCIX-UHFFFAOYSA-N
MW388.21 g/mol
LogP4.15
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide

2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide (PubChem CID 19551400) has the molecular formula C15H16BrF2N3O2 and a molecular weight of 388.21 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide
PubChem CID19551400
Molecular FormulaC15H16BrF2N3O2
Molecular Weight388.21 g/mol
Exact Mass387.04
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(OC(F)F)cc1C)n1cc(Br)cn1
InChIInChI=1S/C15H16BrF2N3O2/c1-3-13(21-8-10(16)7-19-21)14(22)20-12-5-4-11(6-9(12)2)23-15(17)18/h4-8,13,15H,3H2,1-2H3,(H,20,22)
InChIKeyGPNTVMVMZZHCIX-UHFFFAOYSA-N
XLogP4.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551707
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528874
2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide
CID 19549718
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551708
2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide
CID 19551481
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661
2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide
CID 19549741
2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide
CID 19549763
2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]butanamide
CID 19338080
4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887942
2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 19551375
2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 19551349

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide (CID 19551400) is 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide is CCC(C(=O)Nc1ccc(OC(F)F)cc1C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide?
The InChIKey is GPNTVMVMZZHCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2N3O2/c1-3-13(21-8-10(16)7-19-21)14(22)20-12-5-4-11(6-9(12)2)23-15(17)18/h4-8,13,15H,3H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide?
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide has a molecular weight of 388.21 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide is sourced from PubChem (CID 19551400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).