3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide

C18H19N5O2 — CID 162670628

IUPAC3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H19N5O2/c1-11(18-20-16(22-25-18)13-6-4-3-5-7-13)19-17(24)15-10-14(12-8-9-12)21-23(15)2/h3-7,10-12H,8-9H2,1-2H3,(H,19,24)/t11-/m0/s1
InChIKeyKWRZHDNJRKVPLF-NSHDSACASA-N
MW337.38 g/mol
LogP2.84
Rot. Bonds5

About 3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide

3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 162670628) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
PubChem CID162670628
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H19N5O2/c1-11(18-20-16(22-25-18)13-6-4-3-5-7-13)19-17(24)15-10-14(12-8-9-12)21-23(15)2/h3-7,10-12H,8-9H2,1-2H3,(H,19,24)/t11-/m0/s1
InChIKeyKWRZHDNJRKVPLF-NSHDSACASA-N
XLogP2.84
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide (CID 162670628) is 3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide is C[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is KWRZHDNJRKVPLF-NSHDSACASA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11(18-20-16(22-25-18)13-6-4-3-5-7-13)19-17(24)15-10-14(12-8-9-12)21-23(15)2/h3-7,10-12H,8-9H2,1-2H3,(H,19,24)/t11-/m0/s1.
What are the key properties of 3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide?
3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 162670628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).