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

C18H16F2N6O — CID 19539533

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)Nc1c(C#N)cnn1-c1ccccc1
InChIInChI=1S/C18H16F2N6O/c1-11-8-15(16(19)20)24-25(11)12(2)18(27)23-17-13(9-21)10-22-26(17)14-6-4-3-5-7-14/h3-8,10,12,16H,1-2H3,(H,23,27)
InChIKeyDNPHYXZYQLUBDS-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.39
Rot. Bonds5

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

N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide (PubChem CID 19539533) has the molecular formula C18H16F2N6O and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
PubChem CID19539533
Molecular FormulaC18H16F2N6O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)Nc1c(C#N)cnn1-c1ccccc1
InChIInChI=1S/C18H16F2N6O/c1-11-8-15(16(19)20)24-25(11)12(2)18(27)23-17-13(9-21)10-22-26(17)14-6-4-3-5-7-14/h3-8,10,12,16H,1-2H3,(H,23,27)
InChIKeyDNPHYXZYQLUBDS-UHFFFAOYSA-N
XLogP3.39
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.39
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]acetamide
CID 19519557
2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19535569
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19533516
N-(4-cyano-1-phenylpyrazol-5-yl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447094
N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539446
4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480531
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46301764
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
CID 7018494
N-(4-cyano-1-phenylpyrazol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281708
N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474111
N-(4-bromo-2-fluorophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539341
ethyl 2-[[5-amino-4-[1-[(4-cyano-1-phenylpyrazol-5-yl)amino]-1-oxopropan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 46306458

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide (CID 19539533) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide is Cc1cc(C(F)F)nn1C(C)C(=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]propanamide?
The InChIKey is DNPHYXZYQLUBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O/c1-11-8-15(16(19)20)24-25(11)12(2)18(27)23-17-13(9-21)10-22-26(17)14-6-4-3-5-7-14/h3-8,10,12,16H,1-2H3,(H,23,27).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide has a molecular weight of 370.36 g/mol, XLogP of 3.39, 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]propanamide is sourced from PubChem (CID 19539533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).