2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide

C12H19N5O3 — CID 136705914

IUPAC2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide
SMILESCCOC1CC(CC(=O)Nc2[nH]ncc2C(N)=NO)C1
InChIInChI=1S/C12H19N5O3/c1-2-20-8-3-7(4-8)5-10(18)15-12-9(6-14-16-12)11(13)17-19/h6-8,19H,2-5H2,1H3,(H2,13,17)(H2,14,15,16,18)
InChIKeyMAVZOLGUNOANMD-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.65
Rot. Bonds6

About 2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide

2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide (PubChem CID 136705914) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide
PubChem CID136705914
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide
SMILESCCOC1CC(CC(=O)Nc2[nH]ncc2C(N)=NO)C1
InChIInChI=1S/C12H19N5O3/c1-2-20-8-3-7(4-8)5-10(18)15-12-9(6-14-16-12)11(13)17-19/h6-8,19H,2-5H2,1H3,(H2,13,17)(H2,14,15,16,18)
InChIKeyMAVZOLGUNOANMD-UHFFFAOYSA-N
XLogP0.65
TPSA125.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 103166077
N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 136768455
N-(2-amino-2-hydroxyiminoethyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166100
N-(5-chloropyrazin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 107595662
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164854
N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]-2-methylhexanamide
CID 136999075
N-(3-amino-4-ethylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161581
2-(3-ethoxycyclobutyl)-N-(1H-indazol-3-yl)acetamide
CID 103164819
N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 114052575
N-(4-amino-3-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161664
ethyl 5-(3-methylbutanoylamino)-1H-pyrazole-4-carboxylate
CID 110470734
2-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162104

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide (CID 136705914) is 2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide is CCOC1CC(CC(=O)Nc2[nH]ncc2C(N)=NO)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide?
The InChIKey is MAVZOLGUNOANMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-2-20-8-3-7(4-8)5-10(18)15-12-9(6-14-16-12)11(13)17-19/h6-8,19H,2-5H2,1H3,(H2,13,17)(H2,14,15,16,18).
What are the key properties of 2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide?
2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]acetamide is sourced from PubChem (CID 136705914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).