N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide

C18H27N5O3 — CID 91048293

IUPACN-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(=O)NC1CC(c2cc(NC(=O)CNC(=O)C3CCCCC3)n[nH]2)C1
InChIInChI=1S/C18H27N5O3/c1-11(24)20-14-7-13(8-14)15-9-16(23-22-15)21-17(25)10-19-18(26)12-5-3-2-4-6-12/h9,12-14H,2-8,10H2,1H3,(H,19,26)(H,20,24)(H2,21,22,23,25)
InChIKeyWZDSOHWGURIBSG-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.43
Rot. Bonds6

About N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 91048293) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID91048293
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(=O)NC1CC(c2cc(NC(=O)CNC(=O)C3CCCCC3)n[nH]2)C1
InChIInChI=1S/C18H27N5O3/c1-11(24)20-14-7-13(8-14)15-9-16(23-22-15)21-17(25)10-19-18(26)12-5-3-2-4-6-12/h9,12-14H,2-8,10H2,1H3,(H,19,26)(H,20,24)(H2,21,22,23,25)
InChIKeyWZDSOHWGURIBSG-UHFFFAOYSA-N
XLogP1.43
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 91048293) is N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide is CC(=O)NC1CC(c2cc(NC(=O)CNC(=O)C3CCCCC3)n[nH]2)C1.
What is the InChIKey of N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is WZDSOHWGURIBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-11(24)20-14-7-13(8-14)15-9-16(23-22-15)21-17(25)10-19-18(26)12-5-3-2-4-6-12/h9,12-14H,2-8,10H2,1H3,(H,19,26)(H,20,24)(H2,21,22,23,25).
What are the key properties of N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 91048293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).