3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole

C18H26N2 — CID 126760476

IUPAC3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole
SMILESCCCc1ccc(-n2ccc(C)n2)c(C(CC)CC)c1
InChIInChI=1S/C18H26N2/c1-5-8-15-9-10-18(20-12-11-14(4)19-20)17(13-15)16(6-2)7-3/h9-13,16H,5-8H2,1-4H3
InChIKeyVLEVWUZAHHXUEK-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.04
Rot. Bonds6

About 3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole

3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole (PubChem CID 126760476) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole
PubChem CID126760476
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole
SMILESCCCc1ccc(-n2ccc(C)n2)c(C(CC)CC)c1
InChIInChI=1S/C18H26N2/c1-5-8-15-9-10-18(20-12-11-14(4)19-20)17(13-15)16(6-2)7-3/h9-13,16H,5-8H2,1-4H3
InChIKeyVLEVWUZAHHXUEK-UHFFFAOYSA-N
XLogP5.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole?
The IUPAC name of 3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole (CID 126760476) is 3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole.
What is the SMILES notation for 3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole?
The canonical SMILES for 3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole is CCCc1ccc(-n2ccc(C)n2)c(C(CC)CC)c1.
What is the InChIKey of 3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole?
The InChIKey is VLEVWUZAHHXUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-5-8-15-9-10-18(20-12-11-14(4)19-20)17(13-15)16(6-2)7-3/h9-13,16H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole?
3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole has a molecular weight of 270.42 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole is sourced from PubChem (CID 126760476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).