(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C19H28N6O — CID 47041135

IUPAC(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cnnc1C1CCCN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)C1
InChIInChI=1S/C19H28N6O/c1-19(2,3)25-16(10-15(22-25)13-7-8-13)18(26)24-9-5-6-14(11-24)17-21-20-12-23(17)4/h10,12-14H,5-9,11H2,1-4H3
InChIKeyACUJDGMZHUEJTK-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.66
Rot. Bonds3

About (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 47041135) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID47041135
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cnnc1C1CCCN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)C1
InChIInChI=1S/C19H28N6O/c1-19(2,3)25-16(10-15(22-25)13-7-8-13)18(26)24-9-5-6-14(11-24)17-21-20-12-23(17)4/h10,12-14H,5-9,11H2,1-4H3
InChIKeyACUJDGMZHUEJTK-UHFFFAOYSA-N
XLogP2.66
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 47041135) is (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cn1cnnc1C1CCCN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)C1.
What is the InChIKey of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is ACUJDGMZHUEJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-19(2,3)25-16(10-15(22-25)13-7-8-13)18(26)24-9-5-6-14(11-24)17-21-20-12-23(17)4/h10,12-14H,5-9,11H2,1-4H3.
What are the key properties of (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 47041135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).