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

C15H14FN3O — CID 43158638

IUPAC4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine
SMILESCc1ccoc1-c1nn(C)c(N)c1-c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O/c1-9-7-8-20-14(9)13-12(15(17)19(2)18-13)10-3-5-11(16)6-4-10/h3-8H,17H2,1-2H3
InChIKeyUVDDCNIJFRVDHT-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.38
Rot. Bonds2

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

4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine (PubChem CID 43158638) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine
PubChem CID43158638
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine
SMILESCc1ccoc1-c1nn(C)c(N)c1-c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O/c1-9-7-8-20-14(9)13-12(15(17)19(2)18-13)10-3-5-11(16)6-4-10/h3-8H,17H2,1-2H3
InChIKeyUVDDCNIJFRVDHT-UHFFFAOYSA-N
XLogP3.38
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine (CID 43158638) is 4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine is Cc1ccoc1-c1nn(C)c(N)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine?
The InChIKey is UVDDCNIJFRVDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-9-7-8-20-14(9)13-12(15(17)19(2)18-13)10-3-5-11(16)6-4-10/h3-8H,17H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine?
4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine has a molecular weight of 271.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methyl-3-(3-methylfuran-2-yl)pyrazol-5-amine is sourced from PubChem (CID 43158638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).