N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide

C16H21F2N5O2 — CID 122245475

IUPACN-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1nc(C2CCC(F)(F)CC2)no1
InChIInChI=1S/C16H21F2N5O2/c1-9-13(10(2)23(3)21-9)15(24)19-8-12-20-14(22-25-12)11-4-6-16(17,18)7-5-11/h11H,4-8H2,1-3H3,(H,19,24)
InChIKeyOANJWSKTTAKDGK-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.64
Rot. Bonds4

About N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 122245475) has the molecular formula C16H21F2N5O2 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID122245475
Molecular FormulaC16H21F2N5O2
Molecular Weight353.37 g/mol
Exact Mass353.17
IUPAC NameN-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1nc(C2CCC(F)(F)CC2)no1
InChIInChI=1S/C16H21F2N5O2/c1-9-13(10(2)23(3)21-9)15(24)19-8-12-20-14(22-25-12)11-4-6-16(17,18)7-5-11/h11H,4-8H2,1-3H3,(H,19,24)
InChIKeyOANJWSKTTAKDGK-UHFFFAOYSA-N
XLogP2.64
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 122245475) is N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCc1nc(C2CCC(F)(F)CC2)no1.
What is the InChIKey of N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is OANJWSKTTAKDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O2/c1-9-13(10(2)23(3)21-9)15(24)19-8-12-20-14(22-25-12)11-4-6-16(17,18)7-5-11/h11H,4-8H2,1-3H3,(H,19,24).
What are the key properties of N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 122245475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).