3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole

C16H18N2 — CID 135136599

IUPAC3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole
SMILESCCn1nc(C2CC2)cc1/C=C/c1ccccc1
InChIInChI=1S/C16H18N2/c1-2-18-15(12-16(17-18)14-9-10-14)11-8-13-6-4-3-5-7-13/h3-8,11-12,14H,2,9-10H2,1H3/b11-8+
InChIKeyFFJMQPFQKMXQJU-DHZHZOJOSA-N
MW238.33 g/mol
LogP3.95
Rot. Bonds4

About 3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole

3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole (PubChem CID 135136599) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole
PubChem CID135136599
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole
SMILESCCn1nc(C2CC2)cc1/C=C/c1ccccc1
InChIInChI=1S/C16H18N2/c1-2-18-15(12-16(17-18)14-9-10-14)11-8-13-6-4-3-5-7-13/h3-8,11-12,14H,2,9-10H2,1H3/b11-8+
InChIKeyFFJMQPFQKMXQJU-DHZHZOJOSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole?
The IUPAC name of 3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole (CID 135136599) is 3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole?
The canonical SMILES for 3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole is CCn1nc(C2CC2)cc1/C=C/c1ccccc1.
What is the InChIKey of 3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole?
The InChIKey is FFJMQPFQKMXQJU-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-18-15(12-16(17-18)14-9-10-14)11-8-13-6-4-3-5-7-13/h3-8,11-12,14H,2,9-10H2,1H3/b11-8+.
What are the key properties of 3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole?
3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole has a molecular weight of 238.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole is sourced from PubChem (CID 135136599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).