1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one

C18H21N5O — CID 94809445

IUPAC1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one
SMILESCN1N=C(c2ccc(N3CCCC3=O)cc2)C[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H21N5O/c1-21-12-14(11-19-21)17-10-16(20-22(17)2)13-5-7-15(8-6-13)23-9-3-4-18(23)24/h5-8,11-12,17H,3-4,9-10H2,1-2H3/t17-/m1/s1
InChIKeyUEMJPLJQEHLJDQ-QGZVFWFLSA-N
MW323.40 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one

1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one (PubChem CID 94809445) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one
PubChem CID94809445
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one
SMILESCN1N=C(c2ccc(N3CCCC3=O)cc2)C[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H21N5O/c1-21-12-14(11-19-21)17-10-16(20-22(17)2)13-5-7-15(8-6-13)23-9-3-4-18(23)24/h5-8,11-12,17H,3-4,9-10H2,1-2H3/t17-/m1/s1
InChIKeyUEMJPLJQEHLJDQ-QGZVFWFLSA-N
XLogP2.33
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95348934
4-[2-fluoro-4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine
CID 95265252
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide
CID 71806482
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
4-[(3S)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1-methylpyrazole
CID 51428308
4-[(3R)-5-(4-iodophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1-methylpyrazole
CID 51618536
2-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413603
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 41271416
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111742729
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one (CID 94809445) is 1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one is CN1N=C(c2ccc(N3CCCC3=O)cc2)C[C@@H]1c1cnn(C)c1.
What is the InChIKey of 1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one?
The InChIKey is UEMJPLJQEHLJDQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N5O/c1-21-12-14(11-19-21)17-10-16(20-22(17)2)13-5-7-15(8-6-13)23-9-3-4-18(23)24/h5-8,11-12,17H,3-4,9-10H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one?
1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one has a molecular weight of 323.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-2-methyl-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 94809445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).