4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide

C17H26N6O2 — CID 91761750

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NC2CC(c3nnc(CO)n3C)C2)n1
InChIInChI=1S/C17H26N6O2/c1-11-7-12(2)23(21-11)6-4-5-16(25)18-14-8-13(9-14)17-20-19-15(10-24)22(17)3/h7,13-14,24H,4-6,8-10H2,1-3H3,(H,18,25)
InChIKeyOXKZEAVHRQWPPL-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.96
Rot. Bonds7

About 4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide

4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide (PubChem CID 91761750) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide
PubChem CID91761750
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NC2CC(c3nnc(CO)n3C)C2)n1
InChIInChI=1S/C17H26N6O2/c1-11-7-12(2)23(21-11)6-4-5-16(25)18-14-8-13(9-14)17-20-19-15(10-24)22(17)3/h7,13-14,24H,4-6,8-10H2,1-3H3,(H,18,25)
InChIKeyOXKZEAVHRQWPPL-UHFFFAOYSA-N
XLogP0.96
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide (CID 91761750) is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide is Cc1cc(C)n(CCCC(=O)NC2CC(c3nnc(CO)n3C)C2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide?
The InChIKey is OXKZEAVHRQWPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11-7-12(2)23(21-11)6-4-5-16(25)18-14-8-13(9-14)17-20-19-15(10-24)22(17)3/h7,13-14,24H,4-6,8-10H2,1-3H3,(H,18,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide has a molecular weight of 346.44 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]butanamide is sourced from PubChem (CID 91761750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).