2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one

C10H17N3O — CID 83847592

IUPAC2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1CCC1CCCN1
InChIInChI=1S/C10H17N3O/c1-13-9(7-10(14)12-13)5-4-8-3-2-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,14)
InChIKeyFYFPKBJSMRFYJD-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.40
Rot. Bonds3

About 2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one

2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one (PubChem CID 83847592) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one
PubChem CID83847592
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1CCC1CCCN1
InChIInChI=1S/C10H17N3O/c1-13-9(7-10(14)12-13)5-4-8-3-2-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,14)
InChIKeyFYFPKBJSMRFYJD-UHFFFAOYSA-N
XLogP0.40
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one
CID 83845962
5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one
CID 84722940
2-methyl-5-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
CID 83847605
1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone
CID 162399316
1,3,4-trimethyl-5-(2-pyrrolidin-2-ylethyl)pyrazole
CID 83858638
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine
CID 81148091
1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone
CID 114691913
4-methyl-6-(2-pyrrolidin-2-ylethyl)pyrimidine
CID 83858553
3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one
CID 63172875
3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole
CID 82694533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one?
The IUPAC name of 2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one (CID 83847592) is 2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one is Cn1[nH]c(=O)cc1CCC1CCCN1.
What is the InChIKey of 2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one?
The InChIKey is FYFPKBJSMRFYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-9(7-10(14)12-13)5-4-8-3-2-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,14).
What are the key properties of 2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one?
2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one has a molecular weight of 195.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one is sourced from PubChem (CID 83847592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).