3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide

C20H22FN5O2 — CID 164846691

IUPAC3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C20H22FN5O2/c1-11(2)17(20-23-18(25-28-20)13-5-4-6-14(21)9-13)22-19(27)16-10-15(12-7-8-12)24-26(16)3/h4-6,9-12,17H,7-8H2,1-3H3,(H,22,27)/t17-/m0/s1
InChIKeyBSQNXQCRSNCCNR-KRWDZBQOSA-N
MW383.43 g/mol
LogP3.61
Rot. Bonds6

About 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide

3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide (PubChem CID 164846691) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide
PubChem CID164846691
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C20H22FN5O2/c1-11(2)17(20-23-18(25-28-20)13-5-4-6-14(21)9-13)22-19(27)16-10-15(12-7-8-12)24-26(16)3/h4-6,9-12,17H,7-8H2,1-3H3,(H,22,27)/t17-/m0/s1
InChIKeyBSQNXQCRSNCCNR-KRWDZBQOSA-N
XLogP3.61
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide (CID 164846691) is 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide is CC(C)[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is BSQNXQCRSNCCNR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-11(2)17(20-23-18(25-28-20)13-5-4-6-14(21)9-13)22-19(27)16-10-15(12-7-8-12)24-26(16)3/h4-6,9-12,17H,7-8H2,1-3H3,(H,22,27)/t17-/m0/s1.
What are the key properties of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide?
3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 164846691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).