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

C17H15F2N5O2 — CID 139412645

IUPACN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C(F)F)n4)ccc32)cn1
InChIInChI=1S/C17H15F2N5O2/c1-24-8-11(7-20-24)16(25)21-13-5-3-9-6-10(2-4-12(9)13)15-22-17(14(18)19)26-23-15/h2,4,6-8,13-14H,3,5H2,1H3,(H,21,25)/t13-/m1/s1
InChIKeyCIZSVOZPWRJHQX-CYBMUJFWSA-N
MW359.34 g/mol
LogP2.83
Rot. Bonds4

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

N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 139412645) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
PubChem CID139412645
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C(F)F)n4)ccc32)cn1
InChIInChI=1S/C17H15F2N5O2/c1-24-8-11(7-20-24)16(25)21-13-5-3-9-6-10(2-4-12(9)13)15-22-17(14(18)19)26-23-15/h2,4,6-8,13-14H,3,5H2,1H3,(H,21,25)/t13-/m1/s1
InChIKeyCIZSVOZPWRJHQX-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (CID 139412645) is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C(F)F)n4)ccc32)cn1.
What is the InChIKey of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is CIZSVOZPWRJHQX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-24-8-11(7-20-24)16(25)21-13-5-3-9-6-10(2-4-12(9)13)15-22-17(14(18)19)26-23-15/h2,4,6-8,13-14H,3,5H2,1H3,(H,21,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-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-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139412645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).