4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole

C18H24N2O2 — CID 174972085

IUPAC4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole
SMILESCOc1ccc(-c2c(C3CCCC3)c(C)nn2C)cc1OC
InChIInChI=1S/C18H24N2O2/c1-12-17(13-7-5-6-8-13)18(20(2)19-12)14-9-10-15(21-3)16(11-14)22-4/h9-11,13H,5-8H2,1-4H3
InChIKeyAHHXZHOMGUVKBH-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.07
Rot. Bonds4

About 4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole

4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole (PubChem CID 174972085) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole
PubChem CID174972085
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole
SMILESCOc1ccc(-c2c(C3CCCC3)c(C)nn2C)cc1OC
InChIInChI=1S/C18H24N2O2/c1-12-17(13-7-5-6-8-13)18(20(2)19-12)14-9-10-15(21-3)16(11-14)22-4/h9-11,13H,5-8H2,1-4H3
InChIKeyAHHXZHOMGUVKBH-UHFFFAOYSA-N
XLogP4.07
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole?
The IUPAC name of 4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole (CID 174972085) is 4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole is COc1ccc(-c2c(C3CCCC3)c(C)nn2C)cc1OC.
What is the InChIKey of 4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole?
The InChIKey is AHHXZHOMGUVKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-17(13-7-5-6-8-13)18(20(2)19-12)14-9-10-15(21-3)16(11-14)22-4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole?
4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole has a molecular weight of 300.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 174972085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).