1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole

C19H17N5 — CID 151105657

IUPAC1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole
SMILESCn1cc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)cn1
InChIInChI=1S/C19H17N5/c1-23-13-18(11-20-23)16-9-7-15(8-10-16)12-24-14-19(21-22-24)17-5-3-2-4-6-17/h2-11,13-14H,12H2,1H3
InChIKeyMPAZWMVMQVIHKE-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.39
Rot. Bonds4

About 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole

1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole (PubChem CID 151105657) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole
PubChem CID151105657
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole
SMILESCn1cc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)cn1
InChIInChI=1S/C19H17N5/c1-23-13-18(11-20-23)16-9-7-15(8-10-16)12-24-14-19(21-22-24)17-5-3-2-4-6-17/h2-11,13-14H,12H2,1H3
InChIKeyMPAZWMVMQVIHKE-UHFFFAOYSA-N
XLogP3.39
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole?
The IUPAC name of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole (CID 151105657) is 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole.
What is the SMILES notation for 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole?
The canonical SMILES for 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole is Cn1cc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)cn1.
What is the InChIKey of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole?
The InChIKey is MPAZWMVMQVIHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-23-13-18(11-20-23)16-9-7-15(8-10-16)12-24-14-19(21-22-24)17-5-3-2-4-6-17/h2-11,13-14H,12H2,1H3.
What are the key properties of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole?
1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole has a molecular weight of 315.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole is sourced from PubChem (CID 151105657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).