N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine

C17H14FN5S — CID 59408752

IUPACN-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESFc1ccc(-c2cc(CNc3cc(-c4cccs4)[nH]n3)[nH]n2)cc1
InChIInChI=1S/C17H14FN5S/c18-12-5-3-11(4-6-12)14-8-13(20-21-14)10-19-17-9-15(22-23-17)16-2-1-7-24-16/h1-9H,10H2,(H,20,21)(H2,19,22,23)
InChIKeyDXPQWTSNUCIWNK-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.28
Rot. Bonds5

About N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine

N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 59408752) has the molecular formula C17H14FN5S and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID59408752
Molecular FormulaC17H14FN5S
Molecular Weight339.40 g/mol
Exact Mass339.10
IUPAC NameN-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESFc1ccc(-c2cc(CNc3cc(-c4cccs4)[nH]n3)[nH]n2)cc1
InChIInChI=1S/C17H14FN5S/c18-12-5-3-11(4-6-12)14-8-13(20-21-14)10-19-17-9-15(22-23-17)16-2-1-7-24-16/h1-9H,10H2,(H,20,21)(H2,19,22,23)
InChIKeyDXPQWTSNUCIWNK-UHFFFAOYSA-N
XLogP4.28
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine (CID 59408752) is N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine is Fc1ccc(-c2cc(CNc3cc(-c4cccs4)[nH]n3)[nH]n2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is DXPQWTSNUCIWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5S/c18-12-5-3-11(4-6-12)14-8-13(20-21-14)10-19-17-9-15(22-23-17)16-2-1-7-24-16/h1-9H,10H2,(H,20,21)(H2,19,22,23).
What are the key properties of N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 339.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 59408752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).