1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one

C9H13N3O — CID 142557104

IUPAC1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one
SMILESCc1cnn(C2CCN(C)C2=O)c1
InChIInChI=1S/C9H13N3O/c1-7-5-10-12(6-7)8-3-4-11(2)9(8)13/h5-6,8H,3-4H2,1-2H3
InChIKeyDCCHNGBTSKCSFU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.59
Rot. Bonds1

About 1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one

1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one (PubChem CID 142557104) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one
PubChem CID142557104
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one
SMILESCc1cnn(C2CCN(C)C2=O)c1
InChIInChI=1S/C9H13N3O/c1-7-5-10-12(6-7)8-3-4-11(2)9(8)13/h5-6,8H,3-4H2,1-2H3
InChIKeyDCCHNGBTSKCSFU-UHFFFAOYSA-N
XLogP0.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one
CID 165479281
1-cyclobutyl-4-methylpyrazole
CID 59225391
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
1-cyclobutyl-4-methylpyrazole;ethane;methanol
CID 162747933
3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one
CID 130496569
2-[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]acetic acid
CID 107461300
3-[4-(diethoxymethyl)triazol-1-yl]-1-methylpyrrolidin-2-one
CID 66213948
1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one
CID 86771294
1,4-dimethylpyrazole
CID 167636457
N-[[1-(1-methyl-2-oxopyrrolidin-3-yl)triazol-4-yl]methyl]ethanesulfonamide
CID 126835742
1-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepane
CID 126947336
(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one
CID 135344778

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one (CID 142557104) is 1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one is Cc1cnn(C2CCN(C)C2=O)c1.
What is the InChIKey of 1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one?
The InChIKey is DCCHNGBTSKCSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-5-10-12(6-7)8-3-4-11(2)9(8)13/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one?
1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 142557104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).