5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole

C13H14N2 — CID 174386945

IUPAC5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole
SMILESCC=Cc1cc(C)ccc1-c1ccn[nH]1
InChIInChI=1S/C13H14N2/c1-3-4-11-9-10(2)5-6-12(11)13-7-8-14-15-13/h3-9H,1-2H3,(H,14,15)
InChIKeyKZYYSZQOKGBYAX-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.42
Rot. Bonds2

About 5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole

5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole (PubChem CID 174386945) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole
PubChem CID174386945
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole
SMILESCC=Cc1cc(C)ccc1-c1ccn[nH]1
InChIInChI=1S/C13H14N2/c1-3-4-11-9-10(2)5-6-12(11)13-7-8-14-15-13/h3-9H,1-2H3,(H,14,15)
InChIKeyKZYYSZQOKGBYAX-UHFFFAOYSA-N
XLogP3.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1,2-bis(prop-1-enyl)benzene
CID 123860463
4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
CID 176574438
4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine
CID 167189739
ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
CID 176574437
2-[5-methyl-2-[(Z)-prop-1-enyl]phenyl]pyridine
CID 90050951
ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine
CID 143401395
ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
5-methyl-4-(1H-pyrazol-5-yl)-1H-pyrazole
CID 130918479
5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole
CID 150121875
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
3-[2-(1H-pyrazol-5-yl)phenyl]prop-2-enal
CID 169459698
1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione
CID 144945000

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole (CID 174386945) is 5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole is CC=Cc1cc(C)ccc1-c1ccn[nH]1.
What is the InChIKey of 5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole?
The InChIKey is KZYYSZQOKGBYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-3-4-11-9-10(2)5-6-12(11)13-7-8-14-15-13/h3-9H,1-2H3,(H,14,15).
What are the key properties of 5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole?
5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole has a molecular weight of 198.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole is sourced from PubChem (CID 174386945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).