(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C17H17N5O2 — CID 124892044

IUPAC(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CC[C@@H](c3ncon3)C2)cnn1-c1ccccc1
InChIInChI=1S/C17H17N5O2/c1-12-15(9-19-22(12)14-5-3-2-4-6-14)17(23)21-8-7-13(10-21)16-18-11-24-20-16/h2-6,9,11,13H,7-8,10H2,1H3/t13-/m1/s1
InChIKeyLMBPDPBXDUWMMU-CYBMUJFWSA-N
MW323.36 g/mol
LogP2.19
Rot. Bonds3

About (5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 124892044) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID124892044
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CC[C@@H](c3ncon3)C2)cnn1-c1ccccc1
InChIInChI=1S/C17H17N5O2/c1-12-15(9-19-22(12)14-5-3-2-4-6-14)17(23)21-8-7-13(10-21)16-18-11-24-20-16/h2-6,9,11,13H,7-8,10H2,1H3/t13-/m1/s1
InChIKeyLMBPDPBXDUWMMU-CYBMUJFWSA-N
XLogP2.19
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
(3-methoxypyrrolidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 108730568
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90586770
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 75383497
2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540357
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019588
(2-methylpyrazol-3-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124725379
(5-methyl-1-phenylpyrazol-4-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257217
[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 124761234
4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114820

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 124892044) is (5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CC[C@@H](c3ncon3)C2)cnn1-c1ccccc1.
What is the InChIKey of (5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LMBPDPBXDUWMMU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-15(9-19-22(12)14-5-3-2-4-6-14)17(23)21-8-7-13(10-21)16-18-11-24-20-16/h2-6,9,11,13H,7-8,10H2,1H3/t13-/m1/s1.
What are the key properties of (5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 323.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124892044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).