N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

C17H14F2N6O — CID 19519557

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1c(C#N)cnn1-c1ccccc1
InChIInChI=1S/C17H14F2N6O/c1-11-7-14(16(18)19)23-24(11)10-15(26)22-17-12(8-20)9-21-25(17)13-5-3-2-4-6-13/h2-7,9,16H,10H2,1H3,(H,22,26)
InChIKeyOWXVBABBPVDWHD-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.83
Rot. Bonds5

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 19519557) has the molecular formula C17H14F2N6O and a molecular weight of 356.34 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID19519557
Molecular FormulaC17H14F2N6O
Molecular Weight356.34 g/mol
Exact Mass356.12
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1c(C#N)cnn1-c1ccccc1
InChIInChI=1S/C17H14F2N6O/c1-11-7-14(16(18)19)23-24(11)10-15(26)22-17-12(8-20)9-21-25(17)13-5-3-2-4-6-13/h2-7,9,16H,10H2,1H3,(H,22,26)
InChIKeyOWXVBABBPVDWHD-UHFFFAOYSA-N
XLogP2.83
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539533
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530657
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-cyano-1-phenylpyrazol-5-yl)acetamide
CID 19523494
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19530055
N-(4-cyano-1-phenylpyrazol-5-yl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447094
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19551877
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19337554
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 47811081
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135527995
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 47773497
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 47083042
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide
CID 124742043

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (CID 19519557) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is Cc1cc(C(F)F)nn1CC(=O)Nc1c(C#N)cnn1-c1ccccc1.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is OWXVBABBPVDWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6O/c1-11-7-14(16(18)19)23-24(11)10-15(26)22-17-12(8-20)9-21-25(17)13-5-3-2-4-6-13/h2-7,9,16H,10H2,1H3,(H,22,26).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 356.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 19519557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).