(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate

C22H19ClN4O3 — CID 46608891

IUPAC(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCc1nn(-c2ccccc2)c(Cl)c1COC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C22H19ClN4O3/c1-15-18(21(23)27(25-15)17-10-6-3-7-11-17)14-29-20(28)13-12-19-24-22(26-30-19)16-8-4-2-5-9-16/h2-11H,12-14H2,1H3
InChIKeyNFWCALBUYDAPMK-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.56
Rot. Bonds7

About (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 46608891) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID46608891
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCc1nn(-c2ccccc2)c(Cl)c1COC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C22H19ClN4O3/c1-15-18(21(23)27(25-15)17-10-6-3-7-11-17)14-29-20(28)13-12-19-24-22(26-30-19)16-8-4-2-5-9-16/h2-11H,12-14H2,1H3
InChIKeyNFWCALBUYDAPMK-UHFFFAOYSA-N
XLogP4.56
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 4855284
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate
CID 60554109
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-chlorophenyl)propanoate
CID 134031490
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 34702117
(2,6-dimethylphenyl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 9192024
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl quinoline-2-carboxylate
CID 27677382
[2-(trifluoromethyl)phenyl]methyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34420566
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 9455836
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 55402901
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 8002860
ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate
CID 54099322

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate (CID 46608891) is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate is Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is NFWCALBUYDAPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-15-18(21(23)27(25-15)17-10-6-3-7-11-17)14-29-20(28)13-12-19-24-22(26-30-19)16-8-4-2-5-9-16/h2-11H,12-14H2,1H3.
What are the key properties of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 422.87 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 46608891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).