1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C23H19F3N6O2 — CID 53490139

IUPAC1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1
InChIInChI=1S/C23H19F3N6O2/c1-13-18(21(33)28-10-14-3-2-4-17(9-14)23(24,25)26)12-29-32(13)19-8-7-16(11-27-19)22-30-20(31-34-22)15-5-6-15/h2-4,7-9,11-12,15H,5-6,10H2,1H3,(H,28,33)
InChIKeyKFYMRHLYYFTIMZ-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.45
Rot. Bonds6

About 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 53490139) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID53490139
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1
InChIInChI=1S/C23H19F3N6O2/c1-13-18(21(33)28-10-14-3-2-4-17(9-14)23(24,25)26)12-29-32(13)19-8-7-16(11-27-19)22-30-20(31-34-22)15-5-6-15/h2-4,7-9,11-12,15H,5-6,10H2,1H3,(H,28,33)
InChIKeyKFYMRHLYYFTIMZ-UHFFFAOYSA-N
XLogP4.45
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 53179198
N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53490146
N-[(4-chlorophenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53179099
[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53179216
N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53179095
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 53490113
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46477269
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514810
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(furan-2-ylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179232
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 53490120
N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489777
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53490165

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 53490139) is 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1.
What is the InChIKey of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is KFYMRHLYYFTIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-13-18(21(33)28-10-14-3-2-4-17(9-14)23(24,25)26)12-29-32(13)19-8-7-16(11-27-19)22-30-20(31-34-22)15-5-6-15/h2-4,7-9,11-12,15H,5-6,10H2,1H3,(H,28,33).
What are the key properties of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 53490139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).