4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole

Name: 4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₇H₃₂N₂OS — CID 146395911

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole

SMILESCC(C)(CCc1cnn(-c2ccccc2)c1)CCC(C)(C)c1csc(-c2ccco2)c1

InChIInChI=1S/C27H32N2OS/c1-26(2,13-12-21-18-28-29(19-21)23-9-6-5-7-10-23)14-15-27(3,4)22-17-25(31-20-22)24-11-8-16-30-24/h5-11,16-20H,12-15H2,1-4H3

InChIKeyCRGBDBWMGHCEIJ-UHFFFAOYSA-N

MW432.63 g/mol

LogP7.91

Rot. Bonds9

About 4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole

4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole (PubChem CID 146395911) has the molecular formula C₂₇H₃₂N₂OS and a molecular weight of 432.63 g/mol. Its IUPAC name is 4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole.

Molecular Properties

Compound Name	4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole
PubChem CID	146395911
Molecular Formula	C₂₇H₃₂N₂OS
Molecular Weight	432.63 g/mol
Exact Mass	432.22
IUPAC Name	4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole
SMILES	CC(C)(CCc1cnn(-c2ccccc2)c1)CCC(C)(C)c1csc(-c2ccco2)c1
InChI	InChI=1S/C27H32N2OS/c1-26(2,13-12-21-18-28-29(19-21)23-9-6-5-7-10-23)14-15-27(3,4)22-17-25(31-20-22)24-11-8-16-30-24/h5-11,16-20H,12-15H2,1-4H3
InChIKey	CRGBDBWMGHCEIJ-UHFFFAOYSA-N
XLogP	7.91
TPSA	30.96 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.63
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole?

The IUPAC name of 4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole (CID 146395911) is 4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole.

What is the SMILES notation for 4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole?

The canonical SMILES for 4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole is CC(C)(CCc1cnn(-c2ccccc2)c1)CCC(C)(C)c1csc(-c2ccco2)c1.

What is the InChIKey of 4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole?

The InChIKey is CRGBDBWMGHCEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2OS/c1-26(2,13-12-21-18-28-29(19-21)23-9-6-5-7-10-23)14-15-27(3,4)22-17-25(31-20-22)24-11-8-16-30-24/h5-11,16-20H,12-15H2,1-4H3.

What are the key properties of 4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole?

4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole has a molecular weight of 432.63 g/mol, XLogP of 7.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[5-(furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole is sourced from PubChem (CID 146395911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146395911 — identifiers, structure, computed properties (public domain)

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