1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea

C11H19N5O — CID 75480405

IUPAC1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCNC1
InChIInChI=1S/C11H19N5O/c1-2-13-11(17)15-9-7-14-16-10(9)8-4-3-5-12-6-8/h7-8,12H,2-6H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyOSWFFUYJWDTTJM-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.02
Rot. Bonds3

About 1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea

1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea (PubChem CID 75480405) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea
PubChem CID75480405
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCNC1
InChIInChI=1S/C11H19N5O/c1-2-13-11(17)15-9-7-14-16-10(9)8-4-3-5-12-6-8/h7-8,12H,2-6H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyOSWFFUYJWDTTJM-UHFFFAOYSA-N
XLogP1.02
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea (CID 75480405) is 1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea is CCNC(=O)Nc1cn[nH]c1C1CCCNC1.
What is the InChIKey of 1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea?
The InChIKey is OSWFFUYJWDTTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-13-11(17)15-9-7-14-16-10(9)8-4-3-5-12-6-8/h7-8,12H,2-6H2,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of 1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea?
1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea has a molecular weight of 237.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-piperidin-3-yl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 75480405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).