5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine

C9H9N3 — CID 118185369

IUPAC5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine
SMILESC/C=C/c1ccn2nccc2n1
InChIInChI=1S/C9H9N3/c1-2-3-8-5-7-12-9(11-8)4-6-10-12/h2-7H,1H3/b3-2+
InChIKeyMFPRXSUZUJPKNY-NSCUHMNNSA-N
MW159.19 g/mol
LogP1.76
Rot. Bonds1

About 5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine

5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 118185369) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine
PubChem CID118185369
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine
SMILESC/C=C/c1ccn2nccc2n1
InChIInChI=1S/C9H9N3/c1-2-3-8-5-7-12-9(11-8)4-6-10-12/h2-7H,1H3/b3-2+
InChIKeyMFPRXSUZUJPKNY-NSCUHMNNSA-N
XLogP1.76
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine (CID 118185369) is 5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine is C/C=C/c1ccn2nccc2n1.
What is the InChIKey of 5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is MFPRXSUZUJPKNY-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-3-8-5-7-12-9(11-8)4-6-10-12/h2-7H,1H3/b3-2+.
What are the key properties of 5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine?
5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 159.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118185369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).