(4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C14H17ClN4O2 — CID 50809674

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C14H17ClN4O2/c1-3-19-13(10(15)8-16-19)14(20)18-6-4-5-11(18)12-7-9(2)17-21-12/h7-8,11H,3-6H2,1-2H3
InChIKeyAWLYKFSOXFUWRC-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.83
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

(4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 50809674) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID50809674
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C14H17ClN4O2/c1-3-19-13(10(15)8-16-19)14(20)18-6-4-5-11(18)12-7-9(2)17-21-12/h7-8,11H,3-6H2,1-2H3
InChIKeyAWLYKFSOXFUWRC-UHFFFAOYSA-N
XLogP2.83
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747396
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CID 50747033
(2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 126840478
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
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CID 61051342
(4-amino-1,3-dimethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66123020
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 127322889
N-(1-ethylpyrazol-4-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 75461427
ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 60976035
(4-chloro-1-methylpyrazol-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 50809674) is (4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is CCn1ncc(Cl)c1C(=O)N1CCCC1c1cc(C)no1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AWLYKFSOXFUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-3-19-13(10(15)8-16-19)14(20)18-6-4-5-11(18)12-7-9(2)17-21-12/h7-8,11H,3-6H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
(4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 308.77 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50809674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).