4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole

C14H14BrFN2O — CID 22031853

IUPAC4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole
SMILESFc1cc(OC2CCCC2)ccc1-c1[nH]ncc1Br
InChIInChI=1S/C14H14BrFN2O/c15-12-8-17-18-14(12)11-6-5-10(7-13(11)16)19-9-3-1-2-4-9/h5-9H,1-4H2,(H,17,18)
InChIKeyJUGSKZFJROACQU-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.30
Rot. Bonds3

About 4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole

4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole (PubChem CID 22031853) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole
PubChem CID22031853
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole
SMILESFc1cc(OC2CCCC2)ccc1-c1[nH]ncc1Br
InChIInChI=1S/C14H14BrFN2O/c15-12-8-17-18-14(12)11-6-5-10(7-13(11)16)19-9-3-1-2-4-9/h5-9H,1-4H2,(H,17,18)
InChIKeyJUGSKZFJROACQU-UHFFFAOYSA-N
XLogP4.30
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
5-(4-Butoxy-phenyl)-4-methyl-1H-pyrazole
CID 11322177
(E)-3-fluoro-2-[[4-(4-methyl-1H-pyrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512238
(Z)-3-fluoro-2-[[4-(4-methyl-1H-pyrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369033
1-[3-(4-Methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 16767326
5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole
CID 1482912
[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487779
4-fluoro-5-(3-methoxyphenyl)-1H-pyrazole
CID 86052934
2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylidene]propanedinitrile
CID 2741481

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole?
The IUPAC name of 4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole (CID 22031853) is 4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole is Fc1cc(OC2CCCC2)ccc1-c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole?
The InChIKey is JUGSKZFJROACQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c15-12-8-17-18-14(12)11-6-5-10(7-13(11)16)19-9-3-1-2-4-9/h5-9H,1-4H2,(H,17,18).
What are the key properties of 4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole?
4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole has a molecular weight of 325.18 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 22031853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).