(3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide

C14H22N4O2 — CID 97120937

IUPAC(3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)N(CC)CCn2cccn2)CC1=O
InChIInChI=1S/C14H22N4O2/c1-3-16(8-9-18-7-5-6-15-18)14(20)12-10-13(19)17(4-2)11-12/h5-7,12H,3-4,8-11H2,1-2H3/t12-/m1/s1
InChIKeyMYNHIVMPWWLNOC-GFCCVEGCSA-N
MW278.36 g/mol
LogP0.60
Rot. Bonds6

About (3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide

(3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 97120937) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID97120937
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)N(CC)CCn2cccn2)CC1=O
InChIInChI=1S/C14H22N4O2/c1-3-16(8-9-18-7-5-6-15-18)14(20)12-10-13(19)17(4-2)11-12/h5-7,12H,3-4,8-11H2,1-2H3/t12-/m1/s1
InChIKeyMYNHIVMPWWLNOC-GFCCVEGCSA-N
XLogP0.60
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-ethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 70767990
(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279816
N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51077779
(3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97144519
N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72862596
N-ethyl-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56741638
1-[2-(cyclohexen-1-yl)ethyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113182346
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72877164
1-(2-methylpropyl)-5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 47025566
(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206514

Frequently Asked Questions

What is the IUPAC name of (3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide (CID 97120937) is (3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)N(CC)CCn2cccn2)CC1=O.
What is the InChIKey of (3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is MYNHIVMPWWLNOC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-16(8-9-18-7-5-6-15-18)14(20)12-10-13(19)17(4-2)11-12/h5-7,12H,3-4,8-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide?
(3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97120937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).