4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole

C13H16N2O — CID 82113820

IUPAC4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cn[nH]c2)cc1C(C)C
InChIInChI=1S/C13H16N2O/c1-9(2)12-6-10(4-5-13(12)16-3)11-7-14-15-8-11/h4-9H,1-3H3,(H,14,15)
InChIKeyKDELQGROZPNOCL-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.21
Rot. Bonds3

About 4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole

4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole (PubChem CID 82113820) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
PubChem CID82113820
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cn[nH]c2)cc1C(C)C
InChIInChI=1S/C13H16N2O/c1-9(2)12-6-10(4-5-13(12)16-3)11-7-14-15-8-11/h4-9H,1-3H3,(H,14,15)
InChIKeyKDELQGROZPNOCL-UHFFFAOYSA-N
XLogP3.21
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole (CID 82113820) is 4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole is COc1ccc(-c2cn[nH]c2)cc1C(C)C.
What is the InChIKey of 4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole?
The InChIKey is KDELQGROZPNOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)12-6-10(4-5-13(12)16-3)11-7-14-15-8-11/h4-9H,1-3H3,(H,14,15).
What are the key properties of 4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole?
4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole has a molecular weight of 216.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole is sourced from PubChem (CID 82113820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).