1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one

C17H22N4O — CID 60614108

IUPAC1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCC(NCc1cnn(C)c1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H22N4O/c1-13(18-10-14-11-19-20(2)12-14)15-5-3-6-16(9-15)21-8-4-7-17(21)22/h3,5-6,9,11-13,18H,4,7-8,10H2,1-2H3
InChIKeySIEHLYAVALFPES-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.40
Rot. Bonds5

About 1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one

1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 60614108) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID60614108
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCC(NCc1cnn(C)c1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H22N4O/c1-13(18-10-14-11-19-20(2)12-14)15-5-3-6-16(9-15)21-8-4-7-17(21)22/h3,5-6,9,11-13,18H,4,7-8,10H2,1-2H3
InChIKeySIEHLYAVALFPES-UHFFFAOYSA-N
XLogP2.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 75471690
1-[3-[(1R)-1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 95149643
1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 124692957
3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97230406
3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 95244208
5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide
CID 167777508
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 126798109
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119756000
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (CID 60614108) is 1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is CC(NCc1cnn(C)c1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is SIEHLYAVALFPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(18-10-14-11-19-20(2)12-14)15-5-3-6-16(9-15)21-8-4-7-17(21)22/h3,5-6,9,11-13,18H,4,7-8,10H2,1-2H3.
What are the key properties of 1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 60614108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).