5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine

C19H13F4N5 — CID 91101723

IUPAC5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3cc(C(F)(F)F)cc(-c4ccc(F)cc4)c23)n[nH]1
InChIInChI=1S/C19H13F4N5/c1-10-6-16(28-27-10)26-18-17-14(11-2-4-13(20)5-3-11)7-12(19(21,22)23)8-15(17)24-9-25-18/h2-9H,1H3,(H2,24,25,26,27,28)
InChIKeyUFTHGCBQXSQZMU-UHFFFAOYSA-N
MW387.34 g/mol
LogP5.23
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine

5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine (PubChem CID 91101723) has the molecular formula C19H13F4N5 and a molecular weight of 387.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine
PubChem CID91101723
Molecular FormulaC19H13F4N5
Molecular Weight387.34 g/mol
Exact Mass387.11
IUPAC Name5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3cc(C(F)(F)F)cc(-c4ccc(F)cc4)c23)n[nH]1
InChIInChI=1S/C19H13F4N5/c1-10-6-16(28-27-10)26-18-17-14(11-2-4-13(20)5-3-11)7-12(19(21,22)23)8-15(17)24-9-25-18/h2-9H,1H3,(H2,24,25,26,27,28)
InChIKeyUFTHGCBQXSQZMU-UHFFFAOYSA-N
XLogP5.23
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.34
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 123804717
5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 123445272
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(trifluoromethyl)quinazolin-2-yl]methanol
CID 46892495
2-N-(2,4-difluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)quinazoline-2,4-diamine
CID 170946144
N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 18382908
5-(4-fluorophenyl)-7-methoxy-N-[1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]quinazolin-4-amine
CID 163214801
6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 175880737
3-fluoro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 175886124
2-[difluoro-(4-fluorophenyl)methyl]-7-(ethoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 46893127
5-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 68954806
2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 56928852

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine (CID 91101723) is 5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine is Cc1cc(Nc2ncnc3cc(C(F)(F)F)cc(-c4ccc(F)cc4)c23)n[nH]1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is UFTHGCBQXSQZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N5/c1-10-6-16(28-27-10)26-18-17-14(11-2-4-13(20)5-3-11)7-12(19(21,22)23)8-15(17)24-9-25-18/h2-9H,1H3,(H2,24,25,26,27,28).
What are the key properties of 5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine?
5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 387.34 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 91101723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).