4-ethenyl-1-(3-phenylpropyl)pyrazole

C14H16N2 — CID 122240918

IUPAC4-ethenyl-1-(3-phenylpropyl)pyrazole
SMILESC=Cc1cnn(CCCc2ccccc2)c1
InChIInChI=1S/C14H16N2/c1-2-13-11-15-16(12-13)10-6-9-14-7-4-3-5-8-14/h2-5,7-8,11-12H,1,6,9-10H2
InChIKeyXXTPOXMRXAFVDQ-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.16
Rot. Bonds5

About 4-ethenyl-1-(3-phenylpropyl)pyrazole

4-ethenyl-1-(3-phenylpropyl)pyrazole (PubChem CID 122240918) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-ethenyl-1-(3-phenylpropyl)pyrazole.

Molecular Properties

Compound Name4-ethenyl-1-(3-phenylpropyl)pyrazole
PubChem CID122240918
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-ethenyl-1-(3-phenylpropyl)pyrazole
SMILESC=Cc1cnn(CCCc2ccccc2)c1
InChIInChI=1S/C14H16N2/c1-2-13-11-15-16(12-13)10-6-9-14-7-4-3-5-8-14/h2-5,7-8,11-12H,1,6,9-10H2
InChIKeyXXTPOXMRXAFVDQ-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-phenylethyl)-1H-pyrazole
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1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine
CID 5200398
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
3-Cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 3659088
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(3-phenylpropyl)pyrazole?
The IUPAC name of 4-ethenyl-1-(3-phenylpropyl)pyrazole (CID 122240918) is 4-ethenyl-1-(3-phenylpropyl)pyrazole.
What is the SMILES notation for 4-ethenyl-1-(3-phenylpropyl)pyrazole?
The canonical SMILES for 4-ethenyl-1-(3-phenylpropyl)pyrazole is C=Cc1cnn(CCCc2ccccc2)c1.
What is the InChIKey of 4-ethenyl-1-(3-phenylpropyl)pyrazole?
The InChIKey is XXTPOXMRXAFVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-13-11-15-16(12-13)10-6-9-14-7-4-3-5-8-14/h2-5,7-8,11-12H,1,6,9-10H2.
What are the key properties of 4-ethenyl-1-(3-phenylpropyl)pyrazole?
4-ethenyl-1-(3-phenylpropyl)pyrazole has a molecular weight of 212.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(3-phenylpropyl)pyrazole is sourced from PubChem (CID 122240918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).