methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate

C15H14ClN3O3 — CID 168695091

IUPACmethyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cc(-c3cccc(Cl)c3)[nH]n2)C1
InChIInChI=1S/C15H14ClN3O3/c1-22-15(21)10-6-14(20)19(8-10)13-7-12(17-18-13)9-3-2-4-11(16)5-9/h2-5,7,10H,6,8H2,1H3,(H,17,18)
InChIKeyUFMOEISAQHCKES-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.26
Rot. Bonds3

About methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate

methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 168695091) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate
PubChem CID168695091
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Namemethyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cc(-c3cccc(Cl)c3)[nH]n2)C1
InChIInChI=1S/C15H14ClN3O3/c1-22-15(21)10-6-14(20)19(8-10)13-7-12(17-18-13)9-3-2-4-11(16)5-9/h2-5,7,10H,6,8H2,1H3,(H,17,18)
InChIKeyUFMOEISAQHCKES-UHFFFAOYSA-N
XLogP2.26
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693953
methyl 1-(4-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693419
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl (3S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 91664291
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698208
methyl 1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694008
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692613
methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
CID 168693526
4-chloro-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168688095
methyl 1-(2-chloro-6-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693366
methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693481

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate (CID 168695091) is methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2cc(-c3cccc(Cl)c3)[nH]n2)C1.
What is the InChIKey of methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is UFMOEISAQHCKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-22-15(21)10-6-14(20)19(8-10)13-7-12(17-18-13)9-3-2-4-11(16)5-9/h2-5,7,10H,6,8H2,1H3,(H,17,18).
What are the key properties of methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate?
methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 319.75 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168695091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).