NTMUCJNQHGJFGP-UHFFFAOYSA-N

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

C₇H₉BrF₂N₂O — CID 151256853

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

IUPAC4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole

SMILESCCn1ncc(Br)c1OCC(F)F

InChIInChI=1S/C7H9BrF2N2O/c1-2-12-7(5(8)3-11-12)13-4-6(9)10/h3,6H,2,4H2,1H3

InChIKeyNTMUCJNQHGJFGP-UHFFFAOYSA-N

MW255.06 g/mol

LogP2.31

Rot. Bonds4

About NTMUCJNQHGJFGP-UHFFFAOYSA-N

NTMUCJNQHGJFGP-UHFFFAOYSA-N (PubChem CID 151256853) has the molecular formula C₇H₉BrF₂N₂O and a molecular weight of 255.06 g/mol. Its IUPAC name is 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole.

Molecular Properties

Compound Name	NTMUCJNQHGJFGP-UHFFFAOYSA-N
PubChem CID	151256853
Molecular Formula	C₇H₉BrF₂N₂O
Molecular Weight	255.06 g/mol
Exact Mass	253.99
IUPAC Name	4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole
SMILES	CCn1ncc(Br)c1OCC(F)F
InChI	InChI=1S/C7H9BrF2N2O/c1-2-12-7(5(8)3-11-12)13-4-6(9)10/h3,6H,2,4H2,1H3
InChIKey	NTMUCJNQHGJFGP-UHFFFAOYSA-N
XLogP	2.31
TPSA	27.05 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.06
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of NTMUCJNQHGJFGP-UHFFFAOYSA-N (CID 151256853) is 4-bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole.

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

The canonical SMILES for NTMUCJNQHGJFGP-UHFFFAOYSA-N is CCn1ncc(Br)c1OCC(F)F.

What is the InChIKey of NTMUCJNQHGJFGP-UHFFFAOYSA-N?

The InChIKey is NTMUCJNQHGJFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF2N2O/c1-2-12-7(5(8)3-11-12)13-4-6(9)10/h3,6H,2,4H2,1H3.

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

NTMUCJNQHGJFGP-UHFFFAOYSA-N has a molecular weight of 255.06 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for NTMUCJNQHGJFGP-UHFFFAOYSA-N is sourced from PubChem (CID 151256853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151256853 — identifiers, structure, computed properties (public domain)

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