2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C16H24N6O2 — CID 91777906

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)Cc2c(C)n[nH]c2C)C1
InChIInChI=1S/C16H24N6O2/c1-4-22-14(8-23)20-21-16(22)11-5-12(6-11)17-15(24)7-13-9(2)18-19-10(13)3/h11-12,23H,4-8H2,1-3H3,(H,17,24)(H,18,19)
InChIKeyWMOLRLNNRDLBQW-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.74
Rot. Bonds6

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91777906) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91777906
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)Cc2c(C)n[nH]c2C)C1
InChIInChI=1S/C16H24N6O2/c1-4-22-14(8-23)20-21-16(22)11-5-12(6-11)17-15(24)7-13-9(2)18-19-10(13)3/h11-12,23H,4-8H2,1-3H3,(H,17,24)(H,18,19)
InChIKeyWMOLRLNNRDLBQW-UHFFFAOYSA-N
XLogP0.74
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91777906) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CCn1c(CO)nnc1C1CC(NC(=O)Cc2c(C)n[nH]c2C)C1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is WMOLRLNNRDLBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-22-14(8-23)20-21-16(22)11-5-12(6-11)17-15(24)7-13-9(2)18-19-10(13)3/h11-12,23H,4-8H2,1-3H3,(H,17,24)(H,18,19).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91777906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).