1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine

C18H16N6 — CID 173185148

IUPAC1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine
SMILESCc1ccc(-c2ncn[nH]2)cc1-n1ncc(-c2ccccc2)c1N
InChIInChI=1S/C18H16N6/c1-12-7-8-14(18-20-11-21-23-18)9-16(12)24-17(19)15(10-22-24)13-5-3-2-4-6-13/h2-11H,19H2,1H3,(H,20,21,23)
InChIKeyFVWCXPWDMFCVJV-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.22
Rot. Bonds3

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

1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine (PubChem CID 173185148) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine
PubChem CID173185148
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine
SMILESCc1ccc(-c2ncn[nH]2)cc1-n1ncc(-c2ccccc2)c1N
InChIInChI=1S/C18H16N6/c1-12-7-8-14(18-20-11-21-23-18)9-16(12)24-17(19)15(10-22-24)13-5-3-2-4-6-13/h2-11H,19H2,1H3,(H,20,21,23)
InChIKeyFVWCXPWDMFCVJV-UHFFFAOYSA-N
XLogP3.22
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine?
The IUPAC name of 1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine (CID 173185148) is 1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine is Cc1ccc(-c2ncn[nH]2)cc1-n1ncc(-c2ccccc2)c1N.
What is the InChIKey of 1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine?
The InChIKey is FVWCXPWDMFCVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-12-7-8-14(18-20-11-21-23-18)9-16(12)24-17(19)15(10-22-24)13-5-3-2-4-6-13/h2-11H,19H2,1H3,(H,20,21,23).
What are the key properties of 1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine?
1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine has a molecular weight of 316.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine is sourced from PubChem (CID 173185148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).