2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate

C16H23N3O3 — CID 95572890

IUPAC2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1cc(C)n(CCOC(=O)[C@H]2CC(=O)N(CC3CC3)C2)n1
InChIInChI=1S/C16H23N3O3/c1-11-7-12(2)19(17-11)5-6-22-16(21)14-8-15(20)18(10-14)9-13-3-4-13/h7,13-14H,3-6,8-10H2,1-2H3/t14-/m0/s1
InChIKeyQBUMOZGULSMDOT-AWEZNQCLSA-N
MW305.38 g/mol
LogP1.30
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate

2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 95572890) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID95572890
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1cc(C)n(CCOC(=O)[C@H]2CC(=O)N(CC3CC3)C2)n1
InChIInChI=1S/C16H23N3O3/c1-11-7-12(2)19(17-11)5-6-22-16(21)14-8-15(20)18(10-14)9-13-3-4-13/h7,13-14H,3-6,8-10H2,1-2H3/t14-/m0/s1
InChIKeyQBUMOZGULSMDOT-AWEZNQCLSA-N
XLogP1.30
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 78860962
cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 95352331
cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 52577395
cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 940136
2-(3,5-dimethylpyrazol-1-yl)ethyl 2-methylbutanoate
CID 134460631
methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate
CID 168693086
octyl 1-octyl-5-oxopyrrolidine-3-carboxylate
CID 59359662
2-(3,5-dimethylpyrazol-1-yl)ethyl 2,2-dimethylbutanoate
CID 126764031
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide
CID 161043600
ethyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoacetate
CID 52906720
(2R)-3-[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]-2-(2,6-dimethylpyrimidin-4-yl)-3-oxopropanenitrile
CID 95996757
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 95572890) is 2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate is Cc1cc(C)n(CCOC(=O)[C@H]2CC(=O)N(CC3CC3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is QBUMOZGULSMDOT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-7-12(2)19(17-11)5-6-22-16(21)14-8-15(20)18(10-14)9-13-3-4-13/h7,13-14H,3-6,8-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 95572890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).