4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine

C16H13F2N3O — CID 53307036

IUPAC4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Nc2n[nH]c(-c3ccc(F)cc3)c2F)cc1
InChIInChI=1S/C16H13F2N3O/c1-22-13-8-6-12(7-9-13)19-16-14(18)15(20-21-16)10-2-4-11(17)5-3-10/h2-9H,1H3,(H2,19,20,21)
InChIKeyMSAGNSQQIRNWKV-UHFFFAOYSA-N
MW301.30 g/mol
LogP4.11
Rot. Bonds4

About 4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine

4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 53307036) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID53307036
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Nc2n[nH]c(-c3ccc(F)cc3)c2F)cc1
InChIInChI=1S/C16H13F2N3O/c1-22-13-8-6-12(7-9-13)19-16-14(18)15(20-21-16)10-2-4-11(17)5-3-10/h2-9H,1H3,(H2,19,20,21)
InChIKeyMSAGNSQQIRNWKV-UHFFFAOYSA-N
XLogP4.11
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine (CID 53307036) is 4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine is COc1ccc(Nc2n[nH]c(-c3ccc(F)cc3)c2F)cc1.
What is the InChIKey of 4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is MSAGNSQQIRNWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c1-22-13-8-6-12(7-9-13)19-16-14(18)15(20-21-16)10-2-4-11(17)5-3-10/h2-9H,1H3,(H2,19,20,21).
What are the key properties of 4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine?
4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 301.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 53307036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).