(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone

C16H24N6O2 — CID 31075564

IUPAC(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCC(n3cc(COC)nn3)CC2)c1C
InChIInChI=1S/C16H24N6O2/c1-4-14-11(2)15(19-18-14)16(23)21-7-5-13(6-8-21)22-9-12(10-24-3)17-20-22/h9,13H,4-8,10H2,1-3H3,(H,18,19)
InChIKeyHIGSBYQYCFBOGL-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.50
Rot. Bonds5

About (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 31075564) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID31075564
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCC(n3cc(COC)nn3)CC2)c1C
InChIInChI=1S/C16H24N6O2/c1-4-14-11(2)15(19-18-14)16(23)21-7-5-13(6-8-21)22-9-12(10-24-3)17-20-22/h9,13H,4-8,10H2,1-3H3,(H,18,19)
InChIKeyHIGSBYQYCFBOGL-UHFFFAOYSA-N
XLogP1.50
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone (CID 31075564) is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone is CCc1[nH]nc(C(=O)N2CCC(n3cc(COC)nn3)CC2)c1C.
What is the InChIKey of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is HIGSBYQYCFBOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-14-11(2)15(19-18-14)16(23)21-7-5-13(6-8-21)22-9-12(10-24-3)17-20-22/h9,13H,4-8,10H2,1-3H3,(H,18,19).
What are the key properties of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone?
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 332.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 31075564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).