1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea

C14H17N5O — CID 155925356

IUPAC1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea
SMILESO=C(Nc1ccn(-c2ccccn2)n1)NC1CCCC1
InChIInChI=1S/C14H17N5O/c20-14(16-11-5-1-2-6-11)17-12-8-10-19(18-12)13-7-3-4-9-15-13/h3-4,7-11H,1-2,5-6H2,(H2,16,17,18,20)
InChIKeyFMPQFVWLWHIXMW-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds3

About 1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea

1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea (PubChem CID 155925356) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea
PubChem CID155925356
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea
SMILESO=C(Nc1ccn(-c2ccccn2)n1)NC1CCCC1
InChIInChI=1S/C14H17N5O/c20-14(16-11-5-1-2-6-11)17-12-8-10-19(18-12)13-7-3-4-9-15-13/h3-4,7-11H,1-2,5-6H2,(H2,16,17,18,20)
InChIKeyFMPQFVWLWHIXMW-UHFFFAOYSA-N
XLogP2.33
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea (CID 155925356) is 1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea is O=C(Nc1ccn(-c2ccccn2)n1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea?
The InChIKey is FMPQFVWLWHIXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(16-11-5-1-2-6-11)17-12-8-10-19(18-12)13-7-3-4-9-15-13/h3-4,7-11H,1-2,5-6H2,(H2,16,17,18,20).
What are the key properties of 1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea?
1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-pyridin-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 155925356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).