3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C20H23ClN6O — CID 126808811

IUPAC3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC(C)c1c(NC2CCN(c3cnn(C)c3)C2=O)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN6O/c1-13(2)19-18(11-23-27(19)15-6-4-14(21)5-7-15)24-17-8-9-26(20(17)28)16-10-22-25(3)12-16/h4-7,10-13,17,24H,8-9H2,1-3H3
InChIKeyMCYGZNLATIPMPJ-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.60
Rot. Bonds5

About 3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 126808811) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID126808811
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC Name3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC(C)c1c(NC2CCN(c3cnn(C)c3)C2=O)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN6O/c1-13(2)19-18(11-23-27(19)15-6-4-14(21)5-7-15)24-17-8-9-26(20(17)28)16-10-22-25(3)12-16/h4-7,10-13,17,24H,8-9H2,1-3H3
InChIKeyMCYGZNLATIPMPJ-UHFFFAOYSA-N
XLogP3.60
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 124609460
(3S)-3-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 97101427
(3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124721637
4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one
CID 133354000
1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
CID 126800928
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
CID 133402039
3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133306340
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]pyridazin-3-one
CID 133353923
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-5-(trifluoromethyl)benzonitrile
CID 71915118

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 126808811) is 3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is CC(C)c1c(NC2CCN(c3cnn(C)c3)C2=O)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is MCYGZNLATIPMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-13(2)19-18(11-23-27(19)15-6-4-14(21)5-7-15)24-17-8-9-26(20(17)28)16-10-22-25(3)12-16/h4-7,10-13,17,24H,8-9H2,1-3H3.
What are the key properties of 3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 398.90 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 126808811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).