1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one

C20H21N5O — CID 86808744

IUPAC1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(CNCc2cn[nH]c2-c2cccnc2)c1
InChIInChI=1S/C20H21N5O/c26-19-7-3-9-25(19)18-6-1-4-15(10-18)11-22-13-17-14-23-24-20(17)16-5-2-8-21-12-16/h1-2,4-6,8,10,12,14,22H,3,7,9,11,13H2,(H,23,24)
InChIKeyXPFNLZGEESFKLW-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.89
Rot. Bonds6

About 1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one

1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 86808744) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
PubChem CID86808744
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(CNCc2cn[nH]c2-c2cccnc2)c1
InChIInChI=1S/C20H21N5O/c26-19-7-3-9-25(19)18-6-1-4-15(10-18)11-22-13-17-14-23-24-20(17)16-5-2-8-21-12-16/h1-2,4-6,8,10,12,14,22H,3,7,9,11,13H2,(H,23,24)
InChIKeyXPFNLZGEESFKLW-UHFFFAOYSA-N
XLogP2.89
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690189
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808450
1-[3-[[(5-chloro-3-fluoro-2-hydroxyphenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 139017347
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 51125155
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 61402124
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 86808090
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
1-[2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]ethyl]azepan-2-one
CID 154775293

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one (CID 86808744) is 1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(CNCc2cn[nH]c2-c2cccnc2)c1.
What is the InChIKey of 1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is XPFNLZGEESFKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-19-7-3-9-25(19)18-6-1-4-15(10-18)11-22-13-17-14-23-24-20(17)16-5-2-8-21-12-16/h1-2,4-6,8,10,12,14,22H,3,7,9,11,13H2,(H,23,24).
What are the key properties of 1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 86808744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).