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

C22H17ClFN5O2 — CID 175682312

IUPAC1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H17ClFN5O2/c1-12-2-3-13(20-27-22(31-28-20)17-9-18(17)24)8-19(12)26-21(30)14-10-25-29(11-14)16-6-4-15(23)5-7-16/h2-8,10-11,17-18H,9H2,1H3,(H,26,30)/t17-,18-/m0/s1
InChIKeySRXKDLOEQKQEAN-ROUUACIJSA-N
MW437.86 g/mol
LogP4.96
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide (PubChem CID 175682312) has the molecular formula C22H17ClFN5O2 and a molecular weight of 437.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide
PubChem CID175682312
Molecular FormulaC22H17ClFN5O2
Molecular Weight437.86 g/mol
Exact Mass437.11
IUPAC Name1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H17ClFN5O2/c1-12-2-3-13(20-27-22(31-28-20)17-9-18(17)24)8-19(12)26-21(30)14-10-25-29(11-14)16-6-4-15(23)5-7-16/h2-8,10-11,17-18H,9H2,1H3,(H,26,30)/t17-,18-/m0/s1
InChIKeySRXKDLOEQKQEAN-ROUUACIJSA-N
XLogP4.96
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.86
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide (CID 175682312) is 1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide?
The InChIKey is SRXKDLOEQKQEAN-ROUUACIJSA-N. The full InChI is InChI=1S/C22H17ClFN5O2/c1-12-2-3-13(20-27-22(31-28-20)17-9-18(17)24)8-19(12)26-21(30)14-10-25-29(11-14)16-6-4-15(23)5-7-16/h2-8,10-11,17-18H,9H2,1H3,(H,26,30)/t17-,18-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide has a molecular weight of 437.86 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 175682312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).