1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one

C19H23ClN4O — CID 154678453

IUPAC1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C2CCN(c3cn[nH]c3)CC2)cc1Cl
InChIInChI=1S/C19H23ClN4O/c20-18-10-15(3-4-16(18)13-24-7-1-2-19(24)25)14-5-8-23(9-6-14)17-11-21-22-12-17/h3-4,10-12,14H,1-2,5-9,13H2,(H,21,22)
InChIKeySBLOQNWECUZWTA-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.57
Rot. Bonds4

About 1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one

1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 154678453) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
PubChem CID154678453
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C2CCN(c3cn[nH]c3)CC2)cc1Cl
InChIInChI=1S/C19H23ClN4O/c20-18-10-15(3-4-16(18)13-24-7-1-2-19(24)25)14-5-8-23(9-6-14)17-11-21-22-12-17/h3-4,10-12,14H,1-2,5-9,13H2,(H,21,22)
InChIKeySBLOQNWECUZWTA-UHFFFAOYSA-N
XLogP3.57
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one
CID 166828679
3-chloro-4-[(2-oxoazocan-1-yl)methyl]benzonitrile
CID 102665626
1-[[1-[2-(hydroxymethyl)-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 169094886
N-methyl-N-[5-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-2-pyridinyl]acetamide
CID 154678473
2-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]-5-(1H-pyrazol-4-yl)benzoic acid
CID 169094887
1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
CID 64770768
1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one
CID 170969547
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
1-[(4-bromo-2-chlorophenyl)methyl]-1,4-diazepan-2-one
CID 113471437
3-propan-2-yl-2-(1H-pyrazol-4-yl)-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]-1H-indole
CID 175036602
5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483855
1-[(2,4-dichlorophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258906

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one (CID 154678453) is 1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(C2CCN(c3cn[nH]c3)CC2)cc1Cl.
What is the InChIKey of 1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is SBLOQNWECUZWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-18-10-15(3-4-16(18)13-24-7-1-2-19(24)25)14-5-8-23(9-6-14)17-11-21-22-12-17/h3-4,10-12,14H,1-2,5-9,13H2,(H,21,22).
What are the key properties of 1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 358.87 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 154678453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).