4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine

C19H17FN6 — CID 1472687

IUPAC4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN6/c1-13-23-24-19(25(13)12-14-7-9-15(20)10-8-14)17-11-22-26(18(17)21)16-5-3-2-4-6-16/h2-11H,12,21H2,1H3
InChIKeyCZEBMZYZXCRDST-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.21
Rot. Bonds4

About 4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine

4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine (PubChem CID 1472687) has the molecular formula C19H17FN6 and a molecular weight of 348.39 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine
PubChem CID1472687
Molecular FormulaC19H17FN6
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN6/c1-13-23-24-19(25(13)12-14-7-9-15(20)10-8-14)17-11-22-26(18(17)21)16-5-3-2-4-6-16/h2-11H,12,21H2,1H3
InChIKeyCZEBMZYZXCRDST-UHFFFAOYSA-N
XLogP3.21
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine (CID 1472687) is 4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine is Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccc(F)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine?
The InChIKey is CZEBMZYZXCRDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6/c1-13-23-24-19(25(13)12-14-7-9-15(20)10-8-14)17-11-22-26(18(17)21)16-5-3-2-4-6-16/h2-11H,12,21H2,1H3.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine?
4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine has a molecular weight of 348.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-phenylpyrazol-5-amine is sourced from PubChem (CID 1472687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).