4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one

C15H18N4O — CID 168659810

IUPAC4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc(N3CC(CN)CC3=O)n[nH]2)cc1
InChIInChI=1S/C15H18N4O/c1-10-2-4-12(5-3-10)13-7-14(18-17-13)19-9-11(8-16)6-15(19)20/h2-5,7,11H,6,8-9,16H2,1H3,(H,17,18)
InChIKeyKPRKCQYYQNLUPS-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.70
Rot. Bonds3

About 4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one

4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one (PubChem CID 168659810) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
PubChem CID168659810
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc(N3CC(CN)CC3=O)n[nH]2)cc1
InChIInChI=1S/C15H18N4O/c1-10-2-4-12(5-3-10)13-7-14(18-17-13)19-9-11(8-16)6-15(19)20/h2-5,7,11H,6,8-9,16H2,1H3,(H,17,18)
InChIKeyKPRKCQYYQNLUPS-UHFFFAOYSA-N
XLogP1.70
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168662640
4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168656711
4-chloro-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168688095
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663927
4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168509279
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate
CID 168659533
4-(bromomethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168504725
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698208
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661169
4-(aminomethyl)-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168659597
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168659957

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one (CID 168659810) is 4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one is Cc1ccc(-c2cc(N3CC(CN)CC3=O)n[nH]2)cc1.
What is the InChIKey of 4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
The InChIKey is KPRKCQYYQNLUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-2-4-12(5-3-10)13-7-14(18-17-13)19-9-11(8-16)6-15(19)20/h2-5,7,11H,6,8-9,16H2,1H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 168659810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).