1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine

C19H25N7 — CID 86803199

IUPAC1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine
SMILESCc1cc(C)n(Cc2nnc(N3CCN(c4ccccc4)CC3)n2C)n1
InChIInChI=1S/C19H25N7/c1-15-13-16(2)26(22-15)14-18-20-21-19(23(18)3)25-11-9-24(10-12-25)17-7-5-4-6-8-17/h4-8,13H,9-12,14H2,1-3H3
InChIKeyJACNUYNTJISXKX-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.00
Rot. Bonds4

About 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine

1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine (PubChem CID 86803199) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine
PubChem CID86803199
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine
SMILESCc1cc(C)n(Cc2nnc(N3CCN(c4ccccc4)CC3)n2C)n1
InChIInChI=1S/C19H25N7/c1-15-13-16(2)26(22-15)14-18-20-21-19(23(18)3)25-11-9-24(10-12-25)17-7-5-4-6-8-17/h4-8,13H,9-12,14H2,1-3H3
InChIKeyJACNUYNTJISXKX-UHFFFAOYSA-N
XLogP2.00
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine?
The IUPAC name of 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine (CID 86803199) is 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine.
What is the SMILES notation for 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine?
The canonical SMILES for 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine is Cc1cc(C)n(Cc2nnc(N3CCN(c4ccccc4)CC3)n2C)n1.
What is the InChIKey of 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine?
The InChIKey is JACNUYNTJISXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-15-13-16(2)26(22-15)14-18-20-21-19(23(18)3)25-11-9-24(10-12-25)17-7-5-4-6-8-17/h4-8,13H,9-12,14H2,1-3H3.
What are the key properties of 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine?
1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine has a molecular weight of 351.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]-4-phenylpiperazine is sourced from PubChem (CID 86803199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).