3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine

C19H21FN4O3 — CID 135064704

IUPAC3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine
SMILESCOc1cc(Nc2cc(Nc3cccc(C)c3F)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H21FN4O3/c1-11-6-5-7-13(18(11)20)22-17-10-16(23-24-17)21-12-8-14(25-2)19(27-4)15(9-12)26-3/h5-10H,1-4H3,(H3,21,22,23,24)
InChIKeyJOOLNXDNTPYLHE-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.37
Rot. Bonds7

About 3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine

3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine (PubChem CID 135064704) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine
PubChem CID135064704
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine
SMILESCOc1cc(Nc2cc(Nc3cccc(C)c3F)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H21FN4O3/c1-11-6-5-7-13(18(11)20)22-17-10-16(23-24-17)21-12-8-14(25-2)19(27-4)15(9-12)26-3/h5-10H,1-4H3,(H3,21,22,23,24)
InChIKeyJOOLNXDNTPYLHE-UHFFFAOYSA-N
XLogP4.37
TPSA80.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine?
The IUPAC name of 3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine (CID 135064704) is 3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine?
The canonical SMILES for 3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine is COc1cc(Nc2cc(Nc3cccc(C)c3F)n[nH]2)cc(OC)c1OC.
What is the InChIKey of 3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine?
The InChIKey is JOOLNXDNTPYLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-11-6-5-7-13(18(11)20)22-17-10-16(23-24-17)21-12-8-14(25-2)19(27-4)15(9-12)26-3/h5-10H,1-4H3,(H3,21,22,23,24).
What are the key properties of 3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine?
3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine has a molecular weight of 372.40 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluoro-3-methylphenyl)-5-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135064704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).