4-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C8H11N3O — CID 66107601

IUPAC4-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(C2CNC(=O)C2)cn1
InChIInChI=1S/C8H11N3O/c1-11-5-7(4-10-11)6-2-8(12)9-3-6/h4-6H,2-3H2,1H3,(H,9,12)
InChIKeyIFNJOWBFZJNUCY-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.02
Rot. Bonds1

About 4-(1-methylpyrazol-4-yl)pyrrolidin-2-one

4-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 66107601) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID66107601
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(C2CNC(=O)C2)cn1
InChIInChI=1S/C8H11N3O/c1-11-5-7(4-10-11)6-2-8(12)9-3-6/h4-6H,2-3H2,1H3,(H,9,12)
InChIKeyIFNJOWBFZJNUCY-UHFFFAOYSA-N
XLogP0.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(4R,5S)-4-(aminomethyl)-1-tert-butyl-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164143
rac-(4R,5S)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164147
1-methyl-4-(pyrrolidin-3-yl)-1H-pyrazole
CID 54593929
N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 39854803
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
8-(Cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739336
N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide
CID 118739346
N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118739348
8-(Cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744096
4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 75356274
rac-(3R,4S)-N-methyl-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 119031227
1-methyl-4-(pyrrolidin-3-yl)-1H-pyrazole dihydrochloride
CID 121215503

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 66107601) is 4-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)pyrrolidin-2-one is Cn1cc(C2CNC(=O)C2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is IFNJOWBFZJNUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-5-7(4-10-11)6-2-8(12)9-3-6/h4-6H,2-3H2,1H3,(H,9,12).
What are the key properties of 4-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
4-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 66107601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).