3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one

C14H22N4O — CID 62274909

IUPAC3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCn1cccn1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H22N4O/c19-14(6-11-17-9-3-8-16-17)18-10-2-5-13(18)12-4-1-7-15-12/h3,8-9,12-13,15H,1-2,4-7,10-11H2
InChIKeyUJTLKVSSFGUZOX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.02
Rot. Bonds4

About 3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one

3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 62274909) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID62274909
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCn1cccn1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H22N4O/c19-14(6-11-17-9-3-8-16-17)18-10-2-5-13(18)12-4-1-7-15-12/h3,8-9,12-13,15H,1-2,4-7,10-11H2
InChIKeyUJTLKVSSFGUZOX-UHFFFAOYSA-N
XLogP1.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid
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ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one (CID 62274909) is 3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one is O=C(CCn1cccn1)N1CCCC1C1CCCN1.
What is the InChIKey of 3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is UJTLKVSSFGUZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(6-11-17-9-3-8-16-17)18-10-2-5-13(18)12-4-1-7-15-12/h3,8-9,12-13,15H,1-2,4-7,10-11H2.
What are the key properties of 3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one?
3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 262.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 62274909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).