5-(3-propan-2-ylphenyl)-1H-pyrazole

C12H14N2 — CID 58101929

IUPAC5-(3-propan-2-ylphenyl)-1H-pyrazole
SMILESCC(C)c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C12H14N2/c1-9(2)10-4-3-5-11(8-10)12-6-7-13-14-12/h3-9H,1-2H3,(H,13,14)
InChIKeyTXIBTAQXLBPTSE-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.20
Rot. Bonds2

About 5-(3-propan-2-ylphenyl)-1H-pyrazole

5-(3-propan-2-ylphenyl)-1H-pyrazole (PubChem CID 58101929) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-(3-propan-2-ylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3-propan-2-ylphenyl)-1H-pyrazole
PubChem CID58101929
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-(3-propan-2-ylphenyl)-1H-pyrazole
SMILESCC(C)c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C12H14N2/c1-9(2)10-4-3-5-11(8-10)12-6-7-13-14-12/h3-9H,1-2H3,(H,13,14)
InChIKeyTXIBTAQXLBPTSE-UHFFFAOYSA-N
XLogP3.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-ylphenyl)-1H-pyrazole?
The IUPAC name of 5-(3-propan-2-ylphenyl)-1H-pyrazole (CID 58101929) is 5-(3-propan-2-ylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(3-propan-2-ylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(3-propan-2-ylphenyl)-1H-pyrazole is CC(C)c1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 5-(3-propan-2-ylphenyl)-1H-pyrazole?
The InChIKey is TXIBTAQXLBPTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9(2)10-4-3-5-11(8-10)12-6-7-13-14-12/h3-9H,1-2H3,(H,13,14).
What are the key properties of 5-(3-propan-2-ylphenyl)-1H-pyrazole?
5-(3-propan-2-ylphenyl)-1H-pyrazole has a molecular weight of 186.26 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-ylphenyl)-1H-pyrazole is sourced from PubChem (CID 58101929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).