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

C19H21N5O2 — CID 51498796

IUPAC3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
SMILESCc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C4CC4)nn3C)n2)c1
InChIInChI=1S/C19H21N5O2/c1-11-5-4-6-14(9-11)17-21-19(26-23-17)12(2)20-18(25)16-10-15(13-7-8-13)22-24(16)3/h4-6,9-10,12-13H,7-8H2,1-3H3,(H,20,25)/t12-/m1/s1
InChIKeyCLINQEGUIZAEPS-GFCCVEGCSA-N
MW351.41 g/mol
LogP3.15
Rot. Bonds5

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

3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide (PubChem CID 51498796) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
PubChem CID51498796
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
SMILESCc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C4CC4)nn3C)n2)c1
InChIInChI=1S/C19H21N5O2/c1-11-5-4-6-14(9-11)17-21-19(26-23-17)12(2)20-18(25)16-10-15(13-7-8-13)22-24(16)3/h4-6,9-10,12-13H,7-8H2,1-3H3,(H,20,25)/t12-/m1/s1
InChIKeyCLINQEGUIZAEPS-GFCCVEGCSA-N
XLogP3.15
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.15
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-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide (CID 51498796) is 3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide is Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C4CC4)nn3C)n2)c1.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
The InChIKey is CLINQEGUIZAEPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11-5-4-6-14(9-11)17-21-19(26-23-17)12(2)20-18(25)16-10-15(13-7-8-13)22-24(16)3/h4-6,9-10,12-13H,7-8H2,1-3H3,(H,20,25)/t12-/m1/s1.
What are the key properties of 3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide?
3-cyclopropyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.15, 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-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 51498796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).