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

C13H15ClN4O2 — CID 22586624

IUPAC(4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2nn(C)cc2Cl)no1
InChIInChI=1S/C13H15ClN4O2/c1-8-6-10(16-20-8)11-4-3-5-18(11)13(19)12-9(14)7-17(2)15-12/h6-7,11H,3-5H2,1-2H3
InChIKeyKCQXABDYEBYINN-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.35
Rot. Bonds2

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

(4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 22586624) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID22586624
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2nn(C)cc2Cl)no1
InChIInChI=1S/C13H15ClN4O2/c1-8-6-10(16-20-8)11-4-3-5-18(11)13(19)12-9(14)7-17(2)15-12/h6-7,11H,3-5H2,1-2H3
InChIKeyKCQXABDYEBYINN-UHFFFAOYSA-N
XLogP2.35
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586726
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 56808405
(4-chloro-1-methylpyrazol-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 110214496
(4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70755718
(4-chloro-1-methylpyrazol-3-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 93064619
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 126441910
[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 22586646
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 22586624) is (4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is Cc1cc(C2CCCN2C(=O)c2nn(C)cc2Cl)no1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KCQXABDYEBYINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-8-6-10(16-20-8)11-4-3-5-18(11)13(19)12-9(14)7-17(2)15-12/h6-7,11H,3-5H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
(4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 294.74 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 22586624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).