4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine

C15H13ClFN3O — CID 43158531

IUPAC4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1occc1-c1nn(C)c(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClFN3O/c1-8-9(6-7-21-8)14-13(15(18)20(2)19-14)12-10(16)4-3-5-11(12)17/h3-7H,18H2,1-2H3
InChIKeyQXLMZEMYEKHSRK-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.03
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine

4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine (PubChem CID 43158531) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine
PubChem CID43158531
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1occc1-c1nn(C)c(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClFN3O/c1-8-9(6-7-21-8)14-13(15(18)20(2)19-14)12-10(16)4-3-5-11(12)17/h3-7H,18H2,1-2H3
InChIKeyQXLMZEMYEKHSRK-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_A(1)', 'substructure': 'N/A'}

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Related Compounds

3-(4-Chlorophenyl)-5-(furan-2-yl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 2980926
5-(1-Benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole
CID 137458545
4-(Furan-3-yl)-1-methyl-3-phenylpyrazol-5-amine
CID 134967729
4-(2-Fluorophenyl)-3-(furan-2-yl)-1-methylpyrazol-5-amine
CID 33783428
4-(3-Fluorophenyl)-3-(furan-2-yl)-1-methylpyrazol-5-amine
CID 33783431
4-(4-Fluorophenyl)-3-(furan-2-yl)-1-methylpyrazol-5-amine
CID 33783434
4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine
CID 43157448
3-(5-Bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158541
4-(4-Fluorophenyl)-3-[2-(furan-2-yl)ethyl]-1-methylpyrazol-5-amine
CID 43158634
4-(4-Fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine
CID 43158638
4-(2-Chloro-6-fluorophenyl)-3-(furan-2-yl)-1-methylpyrazol-5-amine
CID 43336331
4-(2-Chloro-6-fluorophenyl)-1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-amine
CID 43336341

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine (CID 43158531) is 4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine is Cc1occc1-c1nn(C)c(N)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The InChIKey is QXLMZEMYEKHSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-8-9(6-7-21-8)14-13(15(18)20(2)19-14)12-10(16)4-3-5-11(12)17/h3-7H,18H2,1-2H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine?
4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine has a molecular weight of 305.74 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine is sourced from PubChem (CID 43158531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).