(4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

C20H19N3O4 — CID 31805458

IUPAC(4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C20H19N3O4/c24-19(18-5-2-13-26-18)22-11-1-4-17(22)20(25)27-14-15-6-8-16(9-7-15)23-12-3-10-21-23/h2-3,5-10,12-13,17H,1,4,11,14H2/t17-/m0/s1
InChIKeyCBRNKDDMJSLOFQ-KRWDZBQOSA-N
MW365.39 g/mol
LogP2.81
Rot. Bonds5

About (4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

(4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 31805458) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID31805458
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C20H19N3O4/c24-19(18-5-2-13-26-18)22-11-1-4-17(22)20(25)27-14-15-6-8-16(9-7-15)23-12-3-10-21-23/h2-3,5-10,12-13,17H,1,4,11,14H2/t17-/m0/s1
InChIKeyCBRNKDDMJSLOFQ-KRWDZBQOSA-N
XLogP2.81
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214
(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate
CID 60554533
undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 91724066
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944359
benzyl (2R)-1-[6-[(2R)-2-phenylmethoxycarbonylpyrrolidine-1-carbonyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylate
CID 54082754
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55935306
methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027872
(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78920096
(4-pyrazol-1-ylphenyl)methyl cyclohex-3-ene-1-carboxylate
CID 60607313
benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (CID 31805458) is (4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is O=C(OCc1ccc(-n2cccn2)cc1)[C@@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is CBRNKDDMJSLOFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-19(18-5-2-13-26-18)22-11-1-4-17(22)20(25)27-14-15-6-8-16(9-7-15)23-12-3-10-21-23/h2-3,5-10,12-13,17H,1,4,11,14H2/t17-/m0/s1.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
(4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 31805458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).