4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

C18H14F3N7 — CID 135889222

IUPAC4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCc1ccc(-n2nnnc2-c2c(N)n[nH]c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H14F3N7/c1-10-2-8-13(9-3-10)28-17(25-26-27-28)14-15(23-24-16(14)22)11-4-6-12(7-5-11)18(19,20)21/h2-9H,1H3,(H3,22,23,24)
InChIKeyZJZOMOBHISCRAM-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.63
Rot. Bonds3

About 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 135889222) has the molecular formula C18H14F3N7 and a molecular weight of 385.35 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID135889222
Molecular FormulaC18H14F3N7
Molecular Weight385.35 g/mol
Exact Mass385.13
IUPAC Name4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCc1ccc(-n2nnnc2-c2c(N)n[nH]c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H14F3N7/c1-10-2-8-13(9-3-10)28-17(25-26-27-28)14-15(23-24-16(14)22)11-4-6-12(7-5-11)18(19,20)21/h2-9H,1H3,(H3,22,23,24)
InChIKeyZJZOMOBHISCRAM-UHFFFAOYSA-N
XLogP3.63
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 135889222) is 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is Cc1ccc(-n2nnnc2-c2c(N)n[nH]c2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is ZJZOMOBHISCRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7/c1-10-2-8-13(9-3-10)28-17(25-26-27-28)14-15(23-24-16(14)22)11-4-6-12(7-5-11)18(19,20)21/h2-9H,1H3,(H3,22,23,24).
What are the key properties of 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 385.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 135889222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).