4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one

C14H16N4O — CID 106183796

IUPAC4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cnn(-c3ccccc3)c2)CN1
InChIInChI=1S/C14H16N4O/c19-14-6-12(9-16-14)15-7-11-8-17-18(10-11)13-4-2-1-3-5-13/h1-5,8,10,12,15H,6-7,9H2,(H,16,19)
InChIKeyLSYYZKJYARIBSB-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.85
Rot. Bonds4

About 4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one

4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 106183796) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID106183796
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cnn(-c3ccccc3)c2)CN1
InChIInChI=1S/C14H16N4O/c19-14-6-12(9-16-14)15-7-11-8-17-18(10-11)13-4-2-1-3-5-13/h1-5,8,10,12,15H,6-7,9H2,(H,16,19)
InChIKeyLSYYZKJYARIBSB-UHFFFAOYSA-N
XLogP0.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 119108580
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270362
4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106184519
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83009169
4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one
CID 106189605
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441
4-(quinolin-2-ylmethylamino)pyrrolidin-2-one
CID 114155310
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 106183796) is 4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2cnn(-c3ccccc3)c2)CN1.
What is the InChIKey of 4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is LSYYZKJYARIBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14-6-12(9-16-14)15-7-11-8-17-18(10-11)13-4-2-1-3-5-13/h1-5,8,10,12,15H,6-7,9H2,(H,16,19).
What are the key properties of 4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106183796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).