(3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one

C17H22N4O — CID 99615411

IUPAC(3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1c(N[C@@H]2CCN(C(C)C)C2=O)cnn1-c1ccccc1
InChIInChI=1S/C17H22N4O/c1-12(2)20-10-9-15(17(20)22)19-16-11-18-21(13(16)3)14-7-5-4-6-8-14/h4-8,11-12,15,19H,9-10H2,1-3H3/t15-/m1/s1
InChIKeyPVNMAOKAHANCRU-OAHLLOKOSA-N
MW298.39 g/mol
LogP2.60
Rot. Bonds4

About (3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one

(3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 99615411) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
PubChem CID99615411
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1c(N[C@@H]2CCN(C(C)C)C2=O)cnn1-c1ccccc1
InChIInChI=1S/C17H22N4O/c1-12(2)20-10-9-15(17(20)22)19-16-11-18-21(13(16)3)14-7-5-4-6-8-14/h4-8,11-12,15,19H,9-10H2,1-3H3/t15-/m1/s1
InChIKeyPVNMAOKAHANCRU-OAHLLOKOSA-N
XLogP2.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one
CID 133354000
(3R)-3-(2,6-difluoroanilino)-1-propan-2-ylpyrrolidin-2-one
CID 124511774
3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 133388009
(3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one
CID 99616166
3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 133389706
1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339
3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 126808811
(3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 99816751
4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one
CID 133296397
(9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 124885834
4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one
CID 133361772
(3R)-3-[[(4R)-3,4-dihydro-1H-isothiochromen-4-yl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 97074573

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one (CID 99615411) is (3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one is Cc1c(N[C@@H]2CCN(C(C)C)C2=O)cnn1-c1ccccc1.
What is the InChIKey of (3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is PVNMAOKAHANCRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)20-10-9-15(17(20)22)19-16-11-18-21(13(16)3)14-7-5-4-6-8-14/h4-8,11-12,15,19H,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
(3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 99615411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).