N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide

C16H18ClN5O2 — CID 124609460

IUPACN-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1N[C@H]1CCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C16H18ClN5O2/c1-10(23)19-13-4-3-11(17)7-15(13)20-14-5-6-22(16(14)24)12-8-18-21(2)9-12/h3-4,7-9,14,20H,5-6H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyLMKCLJFSXGBCIT-AWEZNQCLSA-N
MW347.81 g/mol
LogP2.25
Rot. Bonds4

About N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide

N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide (PubChem CID 124609460) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide
PubChem CID124609460
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC NameN-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1N[C@H]1CCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C16H18ClN5O2/c1-10(23)19-13-4-3-11(17)7-15(13)20-14-5-6-22(16(14)24)12-8-18-21(2)9-12/h3-4,7-9,14,20H,5-6H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyLMKCLJFSXGBCIT-AWEZNQCLSA-N
XLogP2.25
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 126808811
(3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124721637
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
(3S)-3-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 97101427
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-5-(trifluoromethyl)benzonitrile
CID 71915118
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 133306403
1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
CID 133402039
3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133394043
3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133306340
(2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide
CID 119330173

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide (CID 124609460) is N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Cl)cc1N[C@H]1CCN(c2cnn(C)c2)C1=O.
What is the InChIKey of N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide?
The InChIKey is LMKCLJFSXGBCIT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-10(23)19-13-4-3-11(17)7-15(13)20-14-5-6-22(16(14)24)12-8-18-21(2)9-12/h3-4,7-9,14,20H,5-6H2,1-2H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide?
N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide has a molecular weight of 347.81 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 124609460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).