N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide

C17H26N4O2 — CID 90774132

IUPACN-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
SMILESCC(=O)N(C)C1CC(c2cc(NC(=O)C3CCCCC3)n[nH]2)C1
InChIInChI=1S/C17H26N4O2/c1-11(22)21(2)14-8-13(9-14)15-10-16(20-19-15)18-17(23)12-6-4-3-5-7-12/h10,12-14H,3-9H2,1-2H3,(H2,18,19,20,23)
InChIKeyQSMGPSCHZFCMFB-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.65
Rot. Bonds4

About N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide

N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide (PubChem CID 90774132) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
PubChem CID90774132
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
SMILESCC(=O)N(C)C1CC(c2cc(NC(=O)C3CCCCC3)n[nH]2)C1
InChIInChI=1S/C17H26N4O2/c1-11(22)21(2)14-8-13(9-14)15-10-16(20-19-15)18-17(23)12-6-4-3-5-7-12/h10,12-14H,3-9H2,1-2H3,(H2,18,19,20,23)
InChIKeyQSMGPSCHZFCMFB-UHFFFAOYSA-N
XLogP2.65
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide (CID 90774132) is N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide is CC(=O)N(C)C1CC(c2cc(NC(=O)C3CCCCC3)n[nH]2)C1.
What is the InChIKey of N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide?
The InChIKey is QSMGPSCHZFCMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(22)21(2)14-8-13(9-14)15-10-16(20-19-15)18-17(23)12-6-4-3-5-7-12/h10,12-14H,3-9H2,1-2H3,(H2,18,19,20,23).
What are the key properties of N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide?
N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 90774132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).