(3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C17H20N4O2 — CID 97416313

IUPAC(3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1cc(N2C[C@H](C(=O)Nc3cccc(C)c3)CC2=O)cn1
InChIInChI=1S/C17H20N4O2/c1-3-20-11-15(9-18-20)21-10-13(8-16(21)22)17(23)19-14-6-4-5-12(2)7-14/h4-7,9,11,13H,3,8,10H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyNIZWZHWMGQPUJZ-CYBMUJFWSA-N
MW312.37 g/mol
LogP2.20
Rot. Bonds4

About (3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97416313) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97416313
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1cc(N2C[C@H](C(=O)Nc3cccc(C)c3)CC2=O)cn1
InChIInChI=1S/C17H20N4O2/c1-3-20-11-15(9-18-20)21-10-13(8-16(21)22)17(23)19-14-6-4-5-12(2)7-14/h4-7,9,11,13H,3,8,10H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyNIZWZHWMGQPUJZ-CYBMUJFWSA-N
XLogP2.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 71830396
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
1-(4-ethylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155517
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3S)-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 97465111
(3S)-N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017598
(3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97416303
(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058207
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
3-[[(3R)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9005196
(3R)-1-(3-chloro-2-methylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 970364
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098793

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 97416313) is (3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCn1cc(N2C[C@H](C(=O)Nc3cccc(C)c3)CC2=O)cn1.
What is the InChIKey of (3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NIZWZHWMGQPUJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-20-11-15(9-18-20)21-10-13(8-16(21)22)17(23)19-14-6-4-5-12(2)7-14/h4-7,9,11,13H,3,8,10H2,1-2H3,(H,19,23)/t13-/m1/s1.
What are the key properties of (3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97416313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).