1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole

C15H21N7 — CID 72866156

IUPAC1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole
SMILESCCCn1nc(C)c(Cn2cc(-c3nccn3C)nn2)c1C
InChIInChI=1S/C15H21N7/c1-5-7-22-12(3)13(11(2)18-22)9-21-10-14(17-19-21)15-16-6-8-20(15)4/h6,8,10H,5,7,9H2,1-4H3
InChIKeyICKVQHXDUNQWOI-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.95
Rot. Bonds5

About 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole

1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole (PubChem CID 72866156) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole
PubChem CID72866156
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole
SMILESCCCn1nc(C)c(Cn2cc(-c3nccn3C)nn2)c1C
InChIInChI=1S/C15H21N7/c1-5-7-22-12(3)13(11(2)18-22)9-21-10-14(17-19-21)15-16-6-8-20(15)4/h6,8,10H,5,7,9H2,1-4H3
InChIKeyICKVQHXDUNQWOI-UHFFFAOYSA-N
XLogP1.95
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
The IUPAC name of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole (CID 72866156) is 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole.
What is the SMILES notation for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
The canonical SMILES for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole is CCCn1nc(C)c(Cn2cc(-c3nccn3C)nn2)c1C.
What is the InChIKey of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
The InChIKey is ICKVQHXDUNQWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-5-7-22-12(3)13(11(2)18-22)9-21-10-14(17-19-21)15-16-6-8-20(15)4/h6,8,10H,5,7,9H2,1-4H3.
What are the key properties of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole has a molecular weight of 299.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(1-methylimidazol-2-yl)triazole is sourced from PubChem (CID 72866156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).