2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide

C17H26N4O2 — CID 71921233

IUPAC2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide
SMILESCn1ncc(CNC(=O)CC2CCC2)c1NC(=O)CC1CCC1
InChIInChI=1S/C17H26N4O2/c1-21-17(20-16(23)9-13-6-3-7-13)14(11-19-21)10-18-15(22)8-12-4-2-5-12/h11-13H,2-10H2,1H3,(H,18,22)(H,20,23)
InChIKeyKLWPLFJUZWRNSU-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.36
Rot. Bonds7

About 2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide

2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide (PubChem CID 71921233) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide
PubChem CID71921233
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide
SMILESCn1ncc(CNC(=O)CC2CCC2)c1NC(=O)CC1CCC1
InChIInChI=1S/C17H26N4O2/c1-21-17(20-16(23)9-13-6-3-7-13)14(11-19-21)10-18-15(22)8-12-4-2-5-12/h11-13H,2-10H2,1H3,(H,18,22)(H,20,23)
InChIKeyKLWPLFJUZWRNSU-UHFFFAOYSA-N
XLogP2.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide (CID 71921233) is 2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide is Cn1ncc(CNC(=O)CC2CCC2)c1NC(=O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide?
The InChIKey is KLWPLFJUZWRNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-21-17(20-16(23)9-13-6-3-7-13)14(11-19-21)10-18-15(22)8-12-4-2-5-12/h11-13H,2-10H2,1H3,(H,18,22)(H,20,23).
What are the key properties of 2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide?
2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 71921233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).