3-(4-ethylphenyl)-1-propan-2-ylpyrazole

C14H18N2 — CID 176678956

IUPAC3-(4-ethylphenyl)-1-propan-2-ylpyrazole
SMILESCCc1ccc(-c2ccn(C(C)C)n2)cc1
InChIInChI=1S/C14H18N2/c1-4-12-5-7-13(8-6-12)14-9-10-16(15-14)11(2)3/h5-11H,4H2,1-3H3
InChIKeyYXJJPVBGZGOIGH-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.69
Rot. Bonds3

About 3-(4-ethylphenyl)-1-propan-2-ylpyrazole

3-(4-ethylphenyl)-1-propan-2-ylpyrazole (PubChem CID 176678956) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-propan-2-ylpyrazole
PubChem CID176678956
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-(4-ethylphenyl)-1-propan-2-ylpyrazole
SMILESCCc1ccc(-c2ccn(C(C)C)n2)cc1
InChIInChI=1S/C14H18N2/c1-4-12-5-7-13(8-6-12)14-9-10-16(15-14)11(2)3/h5-11H,4H2,1-3H3
InChIKeyYXJJPVBGZGOIGH-UHFFFAOYSA-N
XLogP3.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-(4-ethylphenyl)pyrazole
CID 70954966
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole
CID 174113164
1-propan-2-yl-3-thiophen-3-ylpyrazole
CID 89311122
5-(1-propan-2-ylpyrazol-3-yl)-1H-indole
CID 71071918
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
4-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine
CID 146510649
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole
CID 122658507
1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 82167159
4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one
CID 154869277
(2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine
CID 118514487
ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine
CID 156867202
(2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine
CID 126619821

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(4-ethylphenyl)-1-propan-2-ylpyrazole (CID 176678956) is 3-(4-ethylphenyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(4-ethylphenyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(4-ethylphenyl)-1-propan-2-ylpyrazole is CCc1ccc(-c2ccn(C(C)C)n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-propan-2-ylpyrazole?
The InChIKey is YXJJPVBGZGOIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-12-5-7-13(8-6-12)14-9-10-16(15-14)11(2)3/h5-11H,4H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)-1-propan-2-ylpyrazole?
3-(4-ethylphenyl)-1-propan-2-ylpyrazole has a molecular weight of 214.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 176678956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).