N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide

C17H15F2N5O2 — CID 139412188

IUPACN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCc2cc(-c3noc(C(F)F)n3)ccc21
InChIInChI=1S/C17H15F2N5O2/c1-24-13(6-7-20-24)16(25)21-12-5-3-9-8-10(2-4-11(9)12)15-22-17(14(18)19)26-23-15/h2,4,6-8,12,14H,3,5H2,1H3,(H,21,25)
InChIKeyGTWHMEFVPLEUKJ-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.83
Rot. Bonds4

About N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide

N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 139412188) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide
PubChem CID139412188
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC NameN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCc2cc(-c3noc(C(F)F)n3)ccc21
InChIInChI=1S/C17H15F2N5O2/c1-24-13(6-7-20-24)16(25)21-12-5-3-9-8-10(2-4-11(9)12)15-22-17(14(18)19)26-23-15/h2,4,6-8,12,14H,3,5H2,1H3,(H,21,25)
InChIKeyGTWHMEFVPLEUKJ-UHFFFAOYSA-N
XLogP2.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Aficamten
CID 139331495
1-methyl-3-(trifluoromethyl)-N-[(1S)-1-{3-[2-(trifluoromethyl)pyridin-4-yl]-1,2,4-oxadiazol-5-yl}ethyl]-1H-pyrazole-5-carboxamide
CID 155272065
3-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 51498797
N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271902
N-[(1S)-1-[3-[2-(difluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271993
N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272188
3-ethyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 162665533
1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162668113
(R)-5-(tert-butyl)-N-(2-(2-((1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 135355857
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 162642965
3-cyclopropyl-1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 46964364
3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 51498796

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide (CID 139412188) is N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCc2cc(-c3noc(C(F)F)n3)ccc21.
What is the InChIKey of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is GTWHMEFVPLEUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-24-13(6-7-20-24)16(25)21-12-5-3-9-8-10(2-4-11(9)12)15-22-17(14(18)19)26-23-15/h2,4,6-8,12,14H,3,5H2,1H3,(H,21,25).
What are the key properties of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide?
N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 359.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 139412188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).