(5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

C16H15ClN2O4 — CID 42887303

IUPAC(5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
SMILESCC1CC(OC(=O)c2cnn(Cc3ccccc3Cl)c2)C(=O)O1
InChIInChI=1S/C16H15ClN2O4/c1-10-6-14(16(21)22-10)23-15(20)12-7-18-19(9-12)8-11-4-2-3-5-13(11)17/h2-5,7,9-10,14H,6,8H2,1H3
InChIKeyLAQFEYRSGHBSFD-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.45
Rot. Bonds4

About (5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

(5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate (PubChem CID 42887303) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is (5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
PubChem CID42887303
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name(5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
SMILESCC1CC(OC(=O)c2cnn(Cc3ccccc3Cl)c2)C(=O)O1
InChIInChI=1S/C16H15ClN2O4/c1-10-6-14(16(21)22-10)23-15(20)12-7-18-19(9-12)8-11-4-2-3-5-13(11)17/h2-5,7,9-10,14H,6,8H2,1H3
InChIKeyLAQFEYRSGHBSFD-UHFFFAOYSA-N
XLogP2.45
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
benzyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494359
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 18169852
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 154759833
1-[(2-chlorophenyl)methyl]-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 55801204
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 39688452
[2-(cycloheptylamino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494892
1-[(2-chlorophenyl)methyl]-N'-(cyclopropanecarbonyl)pyrazole-4-carbohydrazide
CID 25393908
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
[(3R,5S)-5-methyl-2-oxooxolan-3-yl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate
CID 39964471
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 18158137
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51272109

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate?
The IUPAC name of (5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate (CID 42887303) is (5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for (5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for (5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate is CC1CC(OC(=O)c2cnn(Cc3ccccc3Cl)c2)C(=O)O1.
What is the InChIKey of (5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate?
The InChIKey is LAQFEYRSGHBSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10-6-14(16(21)22-10)23-15(20)12-7-18-19(9-12)8-11-4-2-3-5-13(11)17/h2-5,7,9-10,14H,6,8H2,1H3.
What are the key properties of (5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate?
(5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate has a molecular weight of 334.76 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxooxolan-3-yl) 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 42887303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).