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

C14H17N5O — CID 106253383

IUPAC1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCN1CCC(NCc2cn[nH]c2-c2cccnc2)C1=O
InChIInChI=1S/C14H17N5O/c1-19-6-4-12(14(19)20)16-8-11-9-17-18-13(11)10-3-2-5-15-7-10/h2-3,5,7,9,12,16H,4,6,8H2,1H3,(H,17,18)
InChIKeyWWAXIRMXTLFQHH-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.79
Rot. Bonds4

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

1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 106253383) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID106253383
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCN1CCC(NCc2cn[nH]c2-c2cccnc2)C1=O
InChIInChI=1S/C14H17N5O/c1-19-6-4-12(14(19)20)16-8-11-9-17-18-13(11)10-3-2-5-15-7-10/h2-3,5,7,9,12,16H,4,6,8H2,1H3,(H,17,18)
InChIKeyWWAXIRMXTLFQHH-UHFFFAOYSA-N
XLogP0.79
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106253521
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43775484
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine
CID 61221388
1,1-dioxo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]thian-4-amine
CID 43778666
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 106252551
1-cyclopropyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43776581
2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
CID 114629007
[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359814
N'-cyclopentyl-N'-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 119123770
2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 61068727
1-(1-ethylpyrrolidin-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43764814

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 106253383) is 1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one is CN1CCC(NCc2cn[nH]c2-c2cccnc2)C1=O.
What is the InChIKey of 1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is WWAXIRMXTLFQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19-6-4-12(14(19)20)16-8-11-9-17-18-13(11)10-3-2-5-15-7-10/h2-3,5,7,9,12,16H,4,6,8H2,1H3,(H,17,18).
What are the key properties of 1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106253383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).