(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C17H23N5O2 — CID 70717244

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nonc1C1CCCN1C(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C17H23N5O2/c1-11-15(21-24-20-11)14-8-5-9-22(14)17(23)13-10-18-19-16(13)12-6-3-2-4-7-12/h10,12,14H,2-9H2,1H3,(H,18,19)
InChIKeyXOEQBSXUQJSYKF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.13
Rot. Bonds3

About (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 70717244) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID70717244
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nonc1C1CCCN1C(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C17H23N5O2/c1-11-15(21-24-20-11)14-8-5-9-22(14)17(23)13-10-18-19-16(13)12-6-3-2-4-7-12/h10,12,14H,2-9H2,1H3,(H,18,19)
InChIKeyXOEQBSXUQJSYKF-UHFFFAOYSA-N
XLogP3.13
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 97152845
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 97110192
(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74246122
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607665
5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 97143712
methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
CID 70755411
[1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72935420
(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 31259594
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
CID 58029711
ethyl 4-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45170473
(5-cyclohexyl-1H-pyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 70732469
cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584390

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 70717244) is (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cc1nonc1C1CCCN1C(=O)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XOEQBSXUQJSYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-15(21-24-20-11)14-8-5-9-22(14)17(23)13-10-18-19-16(13)12-6-3-2-4-7-12/h10,12,14H,2-9H2,1H3,(H,18,19).
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70717244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).