4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine

C19H18N6 — CID 1472680

IUPAC4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccccc1
InChIInChI=1S/C19H18N6/c1-14-22-23-19(24(14)13-15-8-4-2-5-9-15)17-12-21-25(18(17)20)16-10-6-3-7-11-16/h2-12H,13,20H2,1H3
InChIKeyMBOLZWGJNSKUQE-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.07
Rot. Bonds4

About 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine

4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine (PubChem CID 1472680) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine
PubChem CID1472680
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccccc1
InChIInChI=1S/C19H18N6/c1-14-22-23-19(24(14)13-15-8-4-2-5-9-15)17-12-21-25(18(17)20)16-10-6-3-7-11-16/h2-12H,13,20H2,1H3
InChIKeyMBOLZWGJNSKUQE-UHFFFAOYSA-N
XLogP3.07
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine?
The IUPAC name of 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine (CID 1472680) is 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine is Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccccc1.
What is the InChIKey of 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine?
The InChIKey is MBOLZWGJNSKUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-14-22-23-19(24(14)13-15-8-4-2-5-9-15)17-12-21-25(18(17)20)16-10-6-3-7-11-16/h2-12H,13,20H2,1H3.
What are the key properties of 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine?
4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine has a molecular weight of 330.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 1472680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).