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

C14H16N4O — CID 106184519

IUPAC4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cn[nH]c2-c2ccccc2)CN1
InChIInChI=1S/C14H16N4O/c19-13-6-12(9-16-13)15-7-11-8-17-18-14(11)10-4-2-1-3-5-10/h1-5,8,12,15H,6-7,9H2,(H,16,19)(H,17,18)
InChIKeyTXNWOAHMKBXERQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.05
Rot. Bonds4

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

4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 106184519) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID106184519
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cn[nH]c2-c2ccccc2)CN1
InChIInChI=1S/C14H16N4O/c19-13-6-12(9-16-13)15-7-11-8-17-18-14(11)10-4-2-1-3-5-10/h1-5,8,12,15H,6-7,9H2,(H,16,19)(H,17,18)
InChIKeyTXNWOAHMKBXERQ-UHFFFAOYSA-N
XLogP1.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 104665443
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115671480
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 114544063
1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
CID 64655726
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
4-[[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-2-one
CID 146145259
(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95610632
4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106183548
1,1-dioxo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]thian-4-amine
CID 43778666
4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
CID 130681741

Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 106184519) is 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2cn[nH]c2-c2ccccc2)CN1.
What is the InChIKey of 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is TXNWOAHMKBXERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-13-6-12(9-16-13)15-7-11-8-17-18-14(11)10-4-2-1-3-5-10/h1-5,8,12,15H,6-7,9H2,(H,16,19)(H,17,18).
What are the key properties of 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one?
4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106184519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).