2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide

C15H18BrF2N5O — CID 19531196

IUPAC2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCN(Cc1ccnn1C)C(=O)Cn1nc(C(F)F)c(Br)c1C1CC1
InChIInChI=1S/C15H18BrF2N5O/c1-21(7-10-5-6-19-22(10)2)11(24)8-23-14(9-3-4-9)12(16)13(20-23)15(17)18/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyDOORNZCUDJCCFS-UHFFFAOYSA-N
MW402.24 g/mol
LogP2.85
Rot. Bonds6

About 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide

2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19531196) has the molecular formula C15H18BrF2N5O and a molecular weight of 402.24 g/mol. Its IUPAC name is 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19531196
Molecular FormulaC15H18BrF2N5O
Molecular Weight402.24 g/mol
Exact Mass401.07
IUPAC Name2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCN(Cc1ccnn1C)C(=O)Cn1nc(C(F)F)c(Br)c1C1CC1
InChIInChI=1S/C15H18BrF2N5O/c1-21(7-10-5-6-19-22(10)2)11(24)8-23-14(9-3-4-9)12(16)13(20-23)15(17)18/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyDOORNZCUDJCCFS-UHFFFAOYSA-N
XLogP2.85
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide (CID 19531196) is 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide is CN(Cc1ccnn1C)C(=O)Cn1nc(C(F)F)c(Br)c1C1CC1.
What is the InChIKey of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is DOORNZCUDJCCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF2N5O/c1-21(7-10-5-6-19-22(10)2)11(24)8-23-14(9-3-4-9)12(16)13(20-23)15(17)18/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 402.24 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19531196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).