N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide

C19H24N4O2 — CID 95723506

IUPACN-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C19H24N4O2/c1-2-11-23-17(8-10-20-23)19(25)21-16-13-18(24)22(14-16)12-9-15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyOPOPQJXRPMOXKW-INIZCTEOSA-N
MW340.43 g/mol
LogP1.87
Rot. Bonds7

About N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide

N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide (PubChem CID 95723506) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
PubChem CID95723506
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C19H24N4O2/c1-2-11-23-17(8-10-20-23)19(25)21-16-13-18(24)22(14-16)12-9-15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyOPOPQJXRPMOXKW-INIZCTEOSA-N
XLogP1.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 42509730
2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 95723174
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 95714998
(2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 51583786
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 45221745
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 42526825

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide (CID 95723506) is N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide?
The InChIKey is OPOPQJXRPMOXKW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-11-23-17(8-10-20-23)19(25)21-16-13-18(24)22(14-16)12-9-15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide?
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 95723506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).