1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine

C15H13ClFN3O — CID 83208519

IUPAC1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine
SMILESCc1cc(-c2nn(-c3ccc(Cl)c(F)c3)cc2N)c(C)o1
InChIInChI=1S/C15H13ClFN3O/c1-8-5-11(9(2)21-8)15-14(18)7-20(19-15)10-3-4-12(16)13(17)6-10/h3-7H,18H2,1-2H3
InChIKeyBEVHNRLQINOAPW-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.12
Rot. Bonds2

About 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine

1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine (PubChem CID 83208519) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine
PubChem CID83208519
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine
SMILESCc1cc(-c2nn(-c3ccc(Cl)c(F)c3)cc2N)c(C)o1
InChIInChI=1S/C15H13ClFN3O/c1-8-5-11(9(2)21-8)15-14(18)7-20(19-15)10-3-4-12(16)13(17)6-10/h3-7H,18H2,1-2H3
InChIKeyBEVHNRLQINOAPW-UHFFFAOYSA-N
XLogP4.12
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine
CID 83217034
3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 83203755
1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carbaldehyde
CID 43324048
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine
CID 83204665
1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
CID 83203236
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine
CID 83205335
3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83205205
3-(2,5-dimethylfuran-3-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43141199
1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
CID 79149054
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine
CID 83203193
3-(2,5-dichlorophenyl)-1-(2-fluorophenyl)pyrazol-4-amine
CID 83203297
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine
CID 83205233

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine (CID 83208519) is 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine is Cc1cc(-c2nn(-c3ccc(Cl)c(F)c3)cc2N)c(C)o1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine?
The InChIKey is BEVHNRLQINOAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-8-5-11(9(2)21-8)15-14(18)7-20(19-15)10-3-4-12(16)13(17)6-10/h3-7H,18H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine?
1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine has a molecular weight of 305.74 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine is sourced from PubChem (CID 83208519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).