N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide

C22H19F4N5O2 — CID 118560211

IUPACN-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccn(Cc3cc(C#N)c(F)cn3)n2)ccc1OCCC(F)(F)F
InChIInChI=1S/C22H19F4N5O2/c1-14-8-15(2-3-19(14)33-7-5-22(24,25)26)9-21(32)29-20-4-6-31(30-20)13-17-10-16(11-27)18(23)12-28-17/h2-4,6,8,10,12H,5,7,9,13H2,1H3,(H,29,30,32)
InChIKeyUKAIFMCDKXHGEC-UHFFFAOYSA-N
MW461.42 g/mol
LogP4.16
Rot. Bonds8

About N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide

N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide (PubChem CID 118560211) has the molecular formula C22H19F4N5O2 and a molecular weight of 461.42 g/mol. Its IUPAC name is N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide
PubChem CID118560211
Molecular FormulaC22H19F4N5O2
Molecular Weight461.42 g/mol
Exact Mass461.15
IUPAC NameN-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccn(Cc3cc(C#N)c(F)cn3)n2)ccc1OCCC(F)(F)F
InChIInChI=1S/C22H19F4N5O2/c1-14-8-15(2-3-19(14)33-7-5-22(24,25)26)9-21(32)29-20-4-6-31(30-20)13-17-10-16(11-27)18(23)12-28-17/h2-4,6,8,10,12H,5,7,9,13H2,1H3,(H,29,30,32)
InChIKeyUKAIFMCDKXHGEC-UHFFFAOYSA-N
XLogP4.16
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 126740639
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 118560580
N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 135259858
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 126740685
N-[1-[(6-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 118560514
N-[1-[(3-cyano-4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-cyanopropan-2-yl)phenyl]acetamide
CID 118560452
2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 17088770
N-[1-[(4-cyano-3-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,3-difluorocyclobutyl)methoxy]phenyl]acetamide
CID 118560311
2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide
CID 126740640
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19286047
N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560789

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide?
The IUPAC name of N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide (CID 118560211) is N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide.
What is the SMILES notation for N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide?
The canonical SMILES for N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide is Cc1cc(CC(=O)Nc2ccn(Cc3cc(C#N)c(F)cn3)n2)ccc1OCCC(F)(F)F.
What is the InChIKey of N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide?
The InChIKey is UKAIFMCDKXHGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5O2/c1-14-8-15(2-3-19(14)33-7-5-22(24,25)26)9-21(32)29-20-4-6-31(30-20)13-17-10-16(11-27)18(23)12-28-17/h2-4,6,8,10,12H,5,7,9,13H2,1H3,(H,29,30,32).
What are the key properties of N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide?
N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide has a molecular weight of 461.42 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyano-5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide is sourced from PubChem (CID 118560211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).