1-(2-propoxyphenyl)pyrazole

C12H14N2O — CID 91373275

IUPAC1-(2-propoxyphenyl)pyrazole
SMILESCCCOc1ccccc1-n1cccn1
InChIInChI=1S/C12H14N2O/c1-2-10-15-12-7-4-3-6-11(12)14-9-5-8-13-14/h3-9H,2,10H2,1H3
InChIKeyGZMYDDJXRZQERF-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-propoxyphenyl)pyrazole

1-(2-propoxyphenyl)pyrazole (PubChem CID 91373275) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(2-propoxyphenyl)pyrazole
PubChem CID91373275
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(2-propoxyphenyl)pyrazole
SMILESCCCOc1ccccc1-n1cccn1
InChIInChI=1S/C12H14N2O/c1-2-10-15-12-7-4-3-6-11(12)14-9-5-8-13-14/h3-9H,2,10H2,1H3
InChIKeyGZMYDDJXRZQERF-UHFFFAOYSA-N
XLogP2.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propoxyphenyl)pyrazole-4-carboxylic acid
CID 82365555
potassium 2-propoxyphenolate
CID 23686802
3-[1-(2-propoxyphenyl)triazol-4-yl]propanoic acid
CID 82369460
(2-propoxyphenyl)boronic acid
CID 4219796
2-ethoxy-6-pyrazol-1-ylbenzoic acid
CID 150534802
2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole
CID 166193350
ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
CID 117367533
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
1-(2,3-dimethoxyphenyl)pyrazole
CID 90873377
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
[3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine
CID 84760285
[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
CID 82199485

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)pyrazole?
The IUPAC name of 1-(2-propoxyphenyl)pyrazole (CID 91373275) is 1-(2-propoxyphenyl)pyrazole.
What is the SMILES notation for 1-(2-propoxyphenyl)pyrazole?
The canonical SMILES for 1-(2-propoxyphenyl)pyrazole is CCCOc1ccccc1-n1cccn1.
What is the InChIKey of 1-(2-propoxyphenyl)pyrazole?
The InChIKey is GZMYDDJXRZQERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-10-15-12-7-4-3-6-11(12)14-9-5-8-13-14/h3-9H,2,10H2,1H3.
What are the key properties of 1-(2-propoxyphenyl)pyrazole?
1-(2-propoxyphenyl)pyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)pyrazole is sourced from PubChem (CID 91373275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).