MTNHDUVBZAODOV-UHFFFAOYSA-N

Name: MTNHDUVBZAODOV-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₇H₂₁N₃O₃S — CID 23024785

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

IUPAC3-phenyl-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylic acid

SMILESO=C(O)c1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1-c1ccccc1

InChIInChI=1S/C27H21N3O3S/c31-27(32)24-16-30(29-25(24)20-7-3-1-4-8-20)15-19-11-13-23(14-12-19)33-17-22-18-34-26(28-22)21-9-5-2-6-10-21/h1-14,16,18H,15,17H2,(H,31,32)

InChIKeyMTNHDUVBZAODOV-UHFFFAOYSA-N

MW467.55 g/mol

LogP6.00

Rot. Bonds8

About MTNHDUVBZAODOV-UHFFFAOYSA-N

MTNHDUVBZAODOV-UHFFFAOYSA-N (PubChem CID 23024785) has the molecular formula C₂₇H₂₁N₃O₃S and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-phenyl-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name	MTNHDUVBZAODOV-UHFFFAOYSA-N
PubChem CID	23024785
Molecular Formula	C₂₇H₂₁N₃O₃S
Molecular Weight	467.55 g/mol
Exact Mass	467.13
IUPAC Name	3-phenyl-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylic acid
SMILES	O=C(O)c1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1-c1ccccc1
InChI	InChI=1S/C27H21N3O3S/c31-27(32)24-16-30(29-25(24)20-7-3-1-4-8-20)15-19-11-13-23(14-12-19)33-17-22-18-34-26(28-22)21-9-5-2-6-10-21/h1-14,16,18H,15,17H2,(H,31,32)
InChIKey	MTNHDUVBZAODOV-UHFFFAOYSA-N
XLogP	6.00
TPSA	77.24 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of MTNHDUVBZAODOV-UHFFFAOYSA-N?

The IUPAC name of MTNHDUVBZAODOV-UHFFFAOYSA-N (CID 23024785) is 3-phenyl-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylic acid.

What is the SMILES notation for MTNHDUVBZAODOV-UHFFFAOYSA-N?

The canonical SMILES for MTNHDUVBZAODOV-UHFFFAOYSA-N is O=C(O)c1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1-c1ccccc1.

What is the InChIKey of MTNHDUVBZAODOV-UHFFFAOYSA-N?

The InChIKey is MTNHDUVBZAODOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3S/c31-27(32)24-16-30(29-25(24)20-7-3-1-4-8-20)15-19-11-13-23(14-12-19)33-17-22-18-34-26(28-22)21-9-5-2-6-10-21/h1-14,16,18H,15,17H2,(H,31,32).

What are the key properties of MTNHDUVBZAODOV-UHFFFAOYSA-N?

MTNHDUVBZAODOV-UHFFFAOYSA-N has a molecular weight of 467.55 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for MTNHDUVBZAODOV-UHFFFAOYSA-N is sourced from PubChem (CID 23024785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 23024785 — identifiers, structure, computed properties (public domain)

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