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

C20H20FN5O2 — CID 164846722

IUPAC3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)NC(c1nc(-c2cccc(F)c2)no1)C1CC1
InChIInChI=1S/C20H20FN5O2/c1-26-16(10-15(24-26)11-5-6-11)19(27)22-17(12-7-8-12)20-23-18(25-28-20)13-3-2-4-14(21)9-13/h2-4,9-12,17H,5-8H2,1H3,(H,22,27)
InChIKeyBRSCYVIQZOZZCA-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.37
Rot. Bonds6

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

3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 164846722) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID164846722
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)NC(c1nc(-c2cccc(F)c2)no1)C1CC1
InChIInChI=1S/C20H20FN5O2/c1-26-16(10-15(24-26)11-5-6-11)19(27)22-17(12-7-8-12)20-23-18(25-28-20)13-3-2-4-14(21)9-13/h2-4,9-12,17H,5-8H2,1H3,(H,22,27)
InChIKeyBRSCYVIQZOZZCA-UHFFFAOYSA-N
XLogP3.37
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide (CID 164846722) is 3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide is Cn1nc(C2CC2)cc1C(=O)NC(c1nc(-c2cccc(F)c2)no1)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is BRSCYVIQZOZZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-26-16(10-15(24-26)11-5-6-11)19(27)22-17(12-7-8-12)20-23-18(25-28-20)13-3-2-4-14(21)9-13/h2-4,9-12,17H,5-8H2,1H3,(H,22,27).
What are the key properties of 3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide?
3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 164846722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).