3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole

C16H25N5 — CID 72856389

IUPAC3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1cc(-c2nc(CC3CC3)nn2C(C)C)n(C)n1
InChIInChI=1S/C16H25N5/c1-10(2)13-9-14(20(5)18-13)16-17-15(8-12-6-7-12)19-21(16)11(3)4/h9-12H,6-8H2,1-5H3
InChIKeyIMAHDHXZRMEBKJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.34
Rot. Bonds5

About 3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole

3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole (PubChem CID 72856389) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole
PubChem CID72856389
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1cc(-c2nc(CC3CC3)nn2C(C)C)n(C)n1
InChIInChI=1S/C16H25N5/c1-10(2)13-9-14(20(5)18-13)16-17-15(8-12-6-7-12)19-21(16)11(3)4/h9-12H,6-8H2,1-5H3
InChIKeyIMAHDHXZRMEBKJ-UHFFFAOYSA-N
XLogP3.34
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole (CID 72856389) is 3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole is CC(C)c1cc(-c2nc(CC3CC3)nn2C(C)C)n(C)n1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole?
The InChIKey is IMAHDHXZRMEBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-10(2)13-9-14(20(5)18-13)16-17-15(8-12-6-7-12)19-21(16)11(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of 3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole?
3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole has a molecular weight of 287.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 72856389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).