[3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid

C7H9BrFN3O2 — CID 129251231

IUPAC[3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid
SMILESO=C(O)NCC(F)Cn1cc(Br)cn1
InChIInChI=1S/C7H9BrFN3O2/c8-5-1-11-12(3-5)4-6(9)2-10-7(13)14/h1,3,6,10H,2,4H2,(H,13,14)
InChIKeyZOPJENZHOZRBOI-UHFFFAOYSA-N
MW266.07 g/mol
LogP1.25
Rot. Bonds4

About [3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid

[3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid (PubChem CID 129251231) has the molecular formula C7H9BrFN3O2 and a molecular weight of 266.07 g/mol. Its IUPAC name is [3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid.

Molecular Properties

Compound Name[3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid
PubChem CID129251231
Molecular FormulaC7H9BrFN3O2
Molecular Weight266.07 g/mol
Exact Mass264.99
IUPAC Name[3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid
SMILESO=C(O)NCC(F)Cn1cc(Br)cn1
InChIInChI=1S/C7H9BrFN3O2/c8-5-1-11-12(3-5)4-6(9)2-10-7(13)14/h1,3,6,10H,2,4H2,(H,13,14)
InChIKeyZOPJENZHOZRBOI-UHFFFAOYSA-N
XLogP1.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.07
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromopyrazole-3(5)-carboxylic acid
CID 67450538
tert-butyl N-[3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamate
CID 129281683
1-(4-Fluoropyrazol-1-yl)propan-2-ylcarbamic acid
CID 156171155
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 19282850
N-[3-(4-bromopyrazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 19297551
3-(4-Bromopyrazol-1-yl)-2-fluoropropan-1-amine
CID 84687324
3-(4-Bromo-1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 163304418
2-(4-Bromo-1H-pyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide
CID 165429514
[[2-(4-bromopyrazol-1-yl)-2-methylpropylidene]amino] N-methylcarbamate
CID 54502863
3-Pyrazol-1-ylpropylcarbamic acid
CID 68670153
(1-Methylpyrazol-4-yl)methylcarbamic acid
CID 89157733
2-(4-Chloropyrazol-1-yl)ethylcarbamic acid
CID 118208505

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid?
The IUPAC name of [3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid (CID 129251231) is [3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid.
What is the SMILES notation for [3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid?
The canonical SMILES for [3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid is O=C(O)NCC(F)Cn1cc(Br)cn1.
What is the InChIKey of [3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid?
The InChIKey is ZOPJENZHOZRBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrFN3O2/c8-5-1-11-12(3-5)4-6(9)2-10-7(13)14/h1,3,6,10H,2,4H2,(H,13,14).
What are the key properties of [3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid?
[3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid has a molecular weight of 266.07 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid is sourced from PubChem (CID 129251231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).