3,3-dimethyl-5-phenylpyrazole

C11H12N2 — CID 582268

IUPAC3,3-dimethyl-5-phenylpyrazole
SMILESCC1(C)C=C(c2ccccc2)N=N1
InChIInChI=1S/C11H12N2/c1-11(2)8-10(12-13-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyDVDCXZXRUPLKSU-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.27
Rot. Bonds1

About 3,3-dimethyl-5-phenylpyrazole

3,3-dimethyl-5-phenylpyrazole (PubChem CID 582268) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3,3-dimethyl-5-phenylpyrazole.

Molecular Properties

Compound Name3,3-dimethyl-5-phenylpyrazole
PubChem CID582268
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name3,3-dimethyl-5-phenylpyrazole
SMILESCC1(C)C=C(c2ccccc2)N=N1
InChIInChI=1S/C11H12N2/c1-11(2)8-10(12-13-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyDVDCXZXRUPLKSU-UHFFFAOYSA-N
XLogP3.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-phenylpyrazole?
The IUPAC name of 3,3-dimethyl-5-phenylpyrazole (CID 582268) is 3,3-dimethyl-5-phenylpyrazole.
What is the SMILES notation for 3,3-dimethyl-5-phenylpyrazole?
The canonical SMILES for 3,3-dimethyl-5-phenylpyrazole is CC1(C)C=C(c2ccccc2)N=N1.
What is the InChIKey of 3,3-dimethyl-5-phenylpyrazole?
The InChIKey is DVDCXZXRUPLKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-11(2)8-10(12-13-11)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 3,3-dimethyl-5-phenylpyrazole?
3,3-dimethyl-5-phenylpyrazole has a molecular weight of 172.23 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-phenylpyrazole is sourced from PubChem (CID 582268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).