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

C19H21N5O2 — CID 162662908

IUPAC5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
SMILESCc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C4CC4)n(C)n3)n2)c1
InChIInChI=1S/C19H21N5O2/c1-11-5-4-6-14(9-11)17-21-19(26-23-17)12(2)20-18(25)15-10-16(13-7-8-13)24(3)22-15/h4-6,9-10,12-13H,7-8H2,1-3H3,(H,20,25)/t12-/m0/s1
InChIKeyFJHGAIINSSNJSF-LBPRGKRZSA-N
MW351.41 g/mol
LogP3.15
Rot. Bonds5

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

5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide (PubChem CID 162662908) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
PubChem CID162662908
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
SMILESCc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C4CC4)n(C)n3)n2)c1
InChIInChI=1S/C19H21N5O2/c1-11-5-4-6-14(9-11)17-21-19(26-23-17)12(2)20-18(25)15-10-16(13-7-8-13)24(3)22-15/h4-6,9-10,12-13H,7-8H2,1-3H3,(H,20,25)/t12-/m0/s1
InChIKeyFJHGAIINSSNJSF-LBPRGKRZSA-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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Related Compounds

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CID 136147416
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CID 155271902
CID 155271902
CID 155271993
CID 155271993
CID 155272188
CID 155272188
CID 155272250
CID 155272250
CID 162663246
CID 162663246
CID 162665533
CID 162665533
CID 162668113
CID 162668113
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CID 162642965

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide (CID 162662908) is 5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide is Cc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C4CC4)n(C)n3)n2)c1.
What is the InChIKey of 5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
The InChIKey is FJHGAIINSSNJSF-LBPRGKRZSA-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)15-10-16(13-7-8-13)24(3)22-15/h4-6,9-10,12-13H,7-8H2,1-3H3,(H,20,25)/t12-/m0/s1.
What are the key properties of 5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-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 5-cyclopropyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 162662908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).