(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C17H24N6O — CID 53192785

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCCn1cnnc1C1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1
InChIInChI=1S/C17H24N6O/c1-2-7-23-11-18-21-16(23)13-4-3-8-22(10-13)17(24)15-9-14(19-20-15)12-5-6-12/h9,11-13H,2-8,10H2,1H3,(H,19,20)
InChIKeyFBLCTRDMTKAZHW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.31
Rot. Bonds5

About (5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192785) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192785
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCCn1cnnc1C1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1
InChIInChI=1S/C17H24N6O/c1-2-7-23-11-18-21-16(23)13-4-3-8-22(10-13)17(24)15-9-14(19-20-15)12-5-6-12/h9,11-13H,2-8,10H2,1H3,(H,19,20)
InChIKeyFBLCTRDMTKAZHW-UHFFFAOYSA-N
XLogP2.31
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192785) is (5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCCn1cnnc1C1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is FBLCTRDMTKAZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-2-7-23-11-18-21-16(23)13-4-3-8-22(10-13)17(24)15-9-14(19-20-15)12-5-6-12/h9,11-13H,2-8,10H2,1H3,(H,19,20).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).