1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one

C27H27N5O — CID 26690189

IUPAC1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1
InChIInChI=1S/C27H27N5O/c33-26-9-5-15-32(26)25-12-10-21(11-13-25)16-29-18-24-20-31(19-22-6-2-1-3-7-22)30-27(24)23-8-4-14-28-17-23/h1-4,6-8,10-14,17,20,29H,5,9,15-16,18-19H2
InChIKeyHTTDINRMZZRRAS-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.41
Rot. Bonds8

About 1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one

1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 26690189) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
PubChem CID26690189
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1
InChIInChI=1S/C27H27N5O/c33-26-9-5-15-32(26)25-12-10-21(11-13-25)16-29-18-24-20-31(19-22-6-2-1-3-7-22)30-27(24)23-8-4-14-28-17-23/h1-4,6-8,10-14,17,20,29H,5,9,15-16,18-19H2
InChIKeyHTTDINRMZZRRAS-UHFFFAOYSA-N
XLogP4.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
CID 51203393
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17431965
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51923541
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 52672336
(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 52501408
2-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122073025
1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 86808744
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30767142
1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690069
2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 52908787
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 119125389
(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 27655061

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one (CID 26690189) is 1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1.
What is the InChIKey of 1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is HTTDINRMZZRRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c33-26-9-5-15-32(26)25-12-10-21(11-13-25)16-29-18-24-20-31(19-22-6-2-1-3-7-22)30-27(24)23-8-4-14-28-17-23/h1-4,6-8,10-14,17,20,29H,5,9,15-16,18-19H2.
What are the key properties of 1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 437.55 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 26690189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).