1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride

C17H23ClN4O — CID 56820141

IUPAC1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride
SMILESCc1[nH]ncc1CNC(C)c1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12(18-10-15-11-19-20-13(15)2)14-5-7-16(8-6-14)21-9-3-4-17(21)22;/h5-8,11-12,18H,3-4,9-10H2,1-2H3,(H,19,20);1H
InChIKeyCVEXPLMMRKJAOI-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.12
Rot. Bonds5

About 1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride

1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride (PubChem CID 56820141) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride
PubChem CID56820141
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride
SMILESCc1[nH]ncc1CNC(C)c1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12(18-10-15-11-19-20-13(15)2)14-5-7-16(8-6-14)21-9-3-4-17(21)22;/h5-8,11-12,18H,3-4,9-10H2,1-2H3,(H,19,20);1H
InChIKeyCVEXPLMMRKJAOI-UHFFFAOYSA-N
XLogP3.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride with MolForge

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Related Compounds

1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
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1-(4-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
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1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
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CID 84598087
1-[4-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 48826366
1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride (CID 56820141) is 1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride is Cc1[nH]ncc1CNC(C)c1ccc(N2CCCC2=O)cc1.Cl.
What is the InChIKey of 1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is CVEXPLMMRKJAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-12(18-10-15-11-19-20-13(15)2)14-5-7-16(8-6-14)21-9-3-4-17(21)22;/h5-8,11-12,18H,3-4,9-10H2,1-2H3,(H,19,20);1H.
What are the key properties of 1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride?
1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 56820141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).