3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde

C14H13BrFN3O — CID 114798217

IUPAC3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
SMILESCC(C1CC1)n1cc(C=O)c(-c2ncc(Br)cc2F)n1
InChIInChI=1S/C14H13BrFN3O/c1-8(9-2-3-9)19-6-10(7-20)13(18-19)14-12(16)4-11(15)5-17-14/h4-9H,2-3H2,1H3
InChIKeyRVYZWZUGFHVKPG-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.63
Rot. Bonds4

About 3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde

3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde (PubChem CID 114798217) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
PubChem CID114798217
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
SMILESCC(C1CC1)n1cc(C=O)c(-c2ncc(Br)cc2F)n1
InChIInChI=1S/C14H13BrFN3O/c1-8(9-2-3-9)19-6-10(7-20)13(18-19)14-12(16)4-11(15)5-17-14/h4-9H,2-3H2,1H3
InChIKeyRVYZWZUGFHVKPG-UHFFFAOYSA-N
XLogP3.63
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde
CID 114798131
3-(3-bromo-5-methylphenyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
CID 82773879
1-(1-cyclopropylethyl)-3-(3-fluoro-4-methylphenyl)pyrazole-4-carbaldehyde
CID 79819997
3-(4-bromothiophen-2-yl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
CID 107354867
1-(1-cyclopropylethyl)-3-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde
CID 63750608
1-(1-cyclopropylethyl)-3-(3-fluoro-4-methylsulfanylphenyl)pyrazole-4-carbaldehyde
CID 65456174
1-(1-cyclopropylethyl)-3-(3-fluoro-4-methoxyphenyl)pyrazole-4-carbaldehyde
CID 61271312
3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde
CID 114798117
3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 114798072
3-tert-butyl-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
CID 61271504
1-(1-cyclopropylethyl)-3-(2-iodophenyl)pyrazole-4-carbaldehyde
CID 63162885
1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61270554

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde (CID 114798217) is 3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde is CC(C1CC1)n1cc(C=O)c(-c2ncc(Br)cc2F)n1.
What is the InChIKey of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde?
The InChIKey is RVYZWZUGFHVKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-8(9-2-3-9)19-6-10(7-20)13(18-19)14-12(16)4-11(15)5-17-14/h4-9H,2-3H2,1H3.
What are the key properties of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde?
3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde has a molecular weight of 338.18 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 114798217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).