1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole

C14H16N2 — CID 143924412

IUPAC1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole
SMILESC=C(CC)n1ccc(/C=C/C2=CC=CC2)n1
InChIInChI=1S/C14H16N2/c1-3-12(2)16-11-10-14(15-16)9-8-13-6-4-5-7-13/h4-6,8-11H,2-3,7H2,1H3/b9-8+
InChIKeyQJJFGGKBUXYXOR-CMDGGOBGSA-N
MW212.30 g/mol
LogP3.66
Rot. Bonds4

About 1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole

1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole (PubChem CID 143924412) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole.

Molecular Properties

Compound Name1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole
PubChem CID143924412
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole
SMILESC=C(CC)n1ccc(/C=C/C2=CC=CC2)n1
InChIInChI=1S/C14H16N2/c1-3-12(2)16-11-10-14(15-16)9-8-13-6-4-5-7-13/h4-6,8-11H,2-3,7H2,1H3/b9-8+
InChIKeyQJJFGGKBUXYXOR-CMDGGOBGSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole?
The IUPAC name of 1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole (CID 143924412) is 1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole.
What is the SMILES notation for 1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole?
The canonical SMILES for 1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole is C=C(CC)n1ccc(/C=C/C2=CC=CC2)n1.
What is the InChIKey of 1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole?
The InChIKey is QJJFGGKBUXYXOR-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-12(2)16-11-10-14(15-16)9-8-13-6-4-5-7-13/h4-6,8-11H,2-3,7H2,1H3/b9-8+.
What are the key properties of 1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole?
1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole has a molecular weight of 212.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]pyrazole is sourced from PubChem (CID 143924412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).