2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C17H17F2N5O — CID 19519463

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C17H17F2N5O/c1-12-8-15(17(18)19)22-24(12)11-16(25)21-14-5-2-4-13(9-14)10-23-7-3-6-20-23/h2-9,17H,10-11H2,1H3,(H,21,25)
InChIKeyPHYXTTTXWQBIKP-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.01
Rot. Bonds6

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 19519463) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID19519463
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C17H17F2N5O/c1-12-8-15(17(18)19)22-24(12)11-16(25)21-14-5-2-4-13(9-14)10-23-7-3-6-20-23/h2-9,17H,10-11H2,1H3,(H,21,25)
InChIKeyPHYXTTTXWQBIKP-UHFFFAOYSA-N
XLogP3.01
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19337554
2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 19487000
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519622
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19523573
1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19268564
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19520059
2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 71922145
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate
CID 87023108

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 19519463) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is Cc1cc(C(F)F)nn1CC(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is PHYXTTTXWQBIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-12-8-15(17(18)19)22-24(12)11-16(25)21-14-5-2-4-13(9-14)10-23-7-3-6-20-23/h2-9,17H,10-11H2,1H3,(H,21,25).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 345.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 19519463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).