1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea

C15H27N5O — CID 131947082

IUPAC1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea
SMILESCCCN1CCC(NC(=O)N(CC)CCn2cccn2)C1
InChIInChI=1S/C15H27N5O/c1-3-8-18-10-6-14(13-18)17-15(21)19(4-2)11-12-20-9-5-7-16-20/h5,7,9,14H,3-4,6,8,10-13H2,1-2H3,(H,17,21)
InChIKeyRULJBCOFEHEAOH-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.40
Rot. Bonds7

About 1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea

1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea (PubChem CID 131947082) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea
PubChem CID131947082
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea
SMILESCCCN1CCC(NC(=O)N(CC)CCn2cccn2)C1
InChIInChI=1S/C15H27N5O/c1-3-8-18-10-6-14(13-18)17-15(21)19(4-2)11-12-20-9-5-7-16-20/h5,7,9,14H,3-4,6,8,10-13H2,1-2H3,(H,17,21)
InChIKeyRULJBCOFEHEAOH-UHFFFAOYSA-N
XLogP1.40
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea (CID 131947082) is 1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea is CCCN1CCC(NC(=O)N(CC)CCn2cccn2)C1.
What is the InChIKey of 1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea?
The InChIKey is RULJBCOFEHEAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-8-18-10-6-14(13-18)17-15(21)19(4-2)11-12-20-9-5-7-16-20/h5,7,9,14H,3-4,6,8,10-13H2,1-2H3,(H,17,21).
What are the key properties of 1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea?
1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea has a molecular weight of 293.41 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 131947082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).