(4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C16H18ClN3O2 — CID 50747265

IUPAC(4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2nn(C)cc2Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c1-19-10-13(17)15(18-19)16(21)20-9-3-4-14(20)11-5-7-12(22-2)8-6-11/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyUDHZRDDMLYYAMU-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.06
Rot. Bonds3

About (4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

(4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 50747265) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID50747265
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2nn(C)cc2Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c1-19-10-13(17)15(18-19)16(21)20-9-3-4-14(20)11-5-7-12(22-2)8-6-11/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyUDHZRDDMLYYAMU-UHFFFAOYSA-N
XLogP3.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 50747265) is (4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCCN2C(=O)c2nn(C)cc2Cl)cc1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is UDHZRDDMLYYAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-19-10-13(17)15(18-19)16(21)20-9-3-4-14(20)11-5-7-12(22-2)8-6-11/h5-8,10,14H,3-4,9H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
(4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 319.79 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50747265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).