1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea

C12H14N4O — CID 90569707

IUPAC1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea
SMILESC=CCNC(=O)NCc1cc2ccccn2n1
InChIInChI=1S/C12H14N4O/c1-2-6-13-12(17)14-9-10-8-11-5-3-4-7-16(11)15-10/h2-5,7-8H,1,6,9H2,(H2,13,14,17)
InChIKeyREYCSOHXKYQJGP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.32
Rot. Bonds4

About 1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea

1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea (PubChem CID 90569707) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea
PubChem CID90569707
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea
SMILESC=CCNC(=O)NCc1cc2ccccn2n1
InChIInChI=1S/C12H14N4O/c1-2-6-13-12(17)14-9-10-8-11-5-3-4-7-16(11)15-10/h2-5,7-8H,1,6,9H2,(H2,13,14,17)
InChIKeyREYCSOHXKYQJGP-UHFFFAOYSA-N
XLogP1.32
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea?
The IUPAC name of 1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea (CID 90569707) is 1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea is C=CCNC(=O)NCc1cc2ccccn2n1.
What is the InChIKey of 1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea?
The InChIKey is REYCSOHXKYQJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-6-13-12(17)14-9-10-8-11-5-3-4-7-16(11)15-10/h2-5,7-8H,1,6,9H2,(H2,13,14,17).
What are the key properties of 1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea?
1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea has a molecular weight of 230.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(pyrazolo[1,5-a]pyridin-2-ylmethyl)urea is sourced from PubChem (CID 90569707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).