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

C14H11ClFN3O — CID 63036359

IUPAC4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1occc1-c1[nH]nc(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClFN3O/c1-7-9(4-5-20-7)13-12(14(17)19-18-13)10-3-2-8(16)6-11(10)15/h2-6H,1H3,(H3,17,18,19)
InChIKeyLFUXVMGUCFWASL-UHFFFAOYSA-N
MW291.71 g/mol
LogP4.02
Rot. Bonds2

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

4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 63036359) has the molecular formula C14H11ClFN3O and a molecular weight of 291.71 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID63036359
Molecular FormulaC14H11ClFN3O
Molecular Weight291.71 g/mol
Exact Mass291.06
IUPAC Name4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1occc1-c1[nH]nc(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClFN3O/c1-7-9(4-5-20-7)13-12(14(17)19-18-13)10-3-2-8(16)6-11(10)15/h2-6H,1H3,(H3,17,18,19)
InChIKeyLFUXVMGUCFWASL-UHFFFAOYSA-N
XLogP4.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine (CID 63036359) is 4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine is Cc1occc1-c1[nH]nc(N)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is LFUXVMGUCFWASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O/c1-7-9(4-5-20-7)13-12(14(17)19-18-13)10-3-2-8(16)6-11(10)15/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine?
4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 291.71 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63036359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).