1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one

C13H19N3O — CID 176873333

IUPAC1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C13H19N3O/c1-9(2)10-5-13(17)15(7-10)12-6-14-16(8-12)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3
InChIKeyFAJYMNONMJMVDG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.23
Rot. Bonds3

About 1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one

1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one (PubChem CID 176873333) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one
PubChem CID176873333
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C13H19N3O/c1-9(2)10-5-13(17)15(7-10)12-6-14-16(8-12)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3
InChIKeyFAJYMNONMJMVDG-UHFFFAOYSA-N
XLogP2.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
CID 51078639
1-[5-Oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 71830373
1-(1-Propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 71830382
4-(4-Methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 71830384
4-(4-Ethylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 71830391
4-(4-Methylpiperazine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 71830392
7-(Cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118743412
3-amino-5-methyl-1-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 56807128
2-cyclopentyl-N-methyl-N-(1-methylpyrazol-4-yl)acetamide
CID 86768589
1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(1-propylpyrazol-4-yl)urea
CID 99821906
(4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one
CID 164638660
4,4-dimethyl-1-[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pentan-1-one
CID 164642048

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one (CID 176873333) is 1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(c2cnn(C3CC3)c2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is FAJYMNONMJMVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)10-5-13(17)15(7-10)12-6-14-16(8-12)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3.
What are the key properties of 1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one?
1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 176873333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).