N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide

C18H18FN5O2 — CID 175682273

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnn(C)c1C
InChIInChI=1S/C18H18FN5O2/c1-9-4-5-11(16-22-18(26-23-16)12-7-14(12)19)6-15(9)21-17(25)13-8-20-24(3)10(13)2/h4-6,8,12,14H,7H2,1-3H3,(H,21,25)/t12-,14-/m0/s1
InChIKeyZNCVBACEQMJPPI-JSGCOSHPSA-N
MW355.37 g/mol
LogP3.16
Rot. Bonds4

About N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 175682273) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID175682273
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnn(C)c1C
InChIInChI=1S/C18H18FN5O2/c1-9-4-5-11(16-22-18(26-23-16)12-7-14(12)19)6-15(9)21-17(25)13-8-20-24(3)10(13)2/h4-6,8,12,14H,7H2,1-3H3,(H,21,25)/t12-,14-/m0/s1
InChIKeyZNCVBACEQMJPPI-JSGCOSHPSA-N
XLogP3.16
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide (CID 175682273) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnn(C)c1C.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is ZNCVBACEQMJPPI-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-9-4-5-11(16-22-18(26-23-16)12-7-14(12)19)6-15(9)21-17(25)13-8-20-24(3)10(13)2/h4-6,8,12,14H,7H2,1-3H3,(H,21,25)/t12-,14-/m0/s1.
What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175682273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).