4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine

C16H24N6 — CID 53192282

IUPAC4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
SMILESCCn1cc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)cn1
InChIInChI=1S/C16H24N6/c1-2-22-11-12(9-17-22)10-21-7-5-14(6-8-21)16-18-15(19-20-16)13-3-4-13/h9,11,13-14H,2-8,10H2,1H3,(H,18,19,20)
InChIKeyHRUHXBPQXCZSDA-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.28
Rot. Bonds5

About 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine (PubChem CID 53192282) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
PubChem CID53192282
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
SMILESCCn1cc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)cn1
InChIInChI=1S/C16H24N6/c1-2-22-11-12(9-17-22)10-21-7-5-14(6-8-21)16-18-15(19-20-16)13-3-4-13/h9,11,13-14H,2-8,10H2,1H3,(H,18,19,20)
InChIKeyHRUHXBPQXCZSDA-UHFFFAOYSA-N
XLogP2.28
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine (CID 53192282) is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine is CCn1cc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)cn1.
What is the InChIKey of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine?
The InChIKey is HRUHXBPQXCZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-2-22-11-12(9-17-22)10-21-7-5-14(6-8-21)16-18-15(19-20-16)13-3-4-13/h9,11,13-14H,2-8,10H2,1H3,(H,18,19,20).
What are the key properties of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine?
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine has a molecular weight of 300.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 53192282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).