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

C18H23ClN6O — CID 56888513

IUPAC3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C)n(C2CCN(Cc3c(-c4cc(C)on4)nn(C)c3Cl)C2)n1
InChIInChI=1S/C18H23ClN6O/c1-11-7-12(2)25(20-11)14-5-6-24(9-14)10-15-17(21-23(4)18(15)19)16-8-13(3)26-22-16/h7-8,14H,5-6,9-10H2,1-4H3
InChIKeyFSPIWEWEOYVPHX-UHFFFAOYSA-N
MW374.88 g/mol
LogP3.30
Rot. Bonds4

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

3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole (PubChem CID 56888513) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is 3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
PubChem CID56888513
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC Name3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C)n(C2CCN(Cc3c(-c4cc(C)on4)nn(C)c3Cl)C2)n1
InChIInChI=1S/C18H23ClN6O/c1-11-7-12(2)25(20-11)14-5-6-24(9-14)10-15-17(21-23(4)18(15)19)16-8-13(3)26-22-16/h7-8,14H,5-6,9-10H2,1-4H3
InChIKeyFSPIWEWEOYVPHX-UHFFFAOYSA-N
XLogP3.30
TPSA64.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole (CID 56888513) is 3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole is Cc1cc(C)n(C2CCN(Cc3c(-c4cc(C)on4)nn(C)c3Cl)C2)n1.
What is the InChIKey of 3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is FSPIWEWEOYVPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O/c1-11-7-12(2)25(20-11)14-5-6-24(9-14)10-15-17(21-23(4)18(15)19)16-8-13(3)26-22-16/h7-8,14H,5-6,9-10H2,1-4H3.
What are the key properties of 3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole?
3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 374.88 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 56888513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).