N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide

C11H19N5O2 — CID 114253835

IUPACN-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
SMILESCCC(C)(C(=O)Nc1cc(C)n(C)n1)/C(N)=N/O
InChIInChI=1S/C11H19N5O2/c1-5-11(3,9(12)15-18)10(17)13-8-6-7(2)16(4)14-8/h6,18H,5H2,1-4H3,(H2,12,15)(H,13,14,17)
InChIKeyFEGIBFMPHDGIKK-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.83
Rot. Bonds4

About N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide

N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide (PubChem CID 114253835) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
PubChem CID114253835
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
SMILESCCC(C)(C(=O)Nc1cc(C)n(C)n1)/C(N)=N/O
InChIInChI=1S/C11H19N5O2/c1-5-11(3,9(12)15-18)10(17)13-8-6-7(2)16(4)14-8/h6,18H,5H2,1-4H3,(H2,12,15)(H,13,14,17)
InChIKeyFEGIBFMPHDGIKK-UHFFFAOYSA-N
XLogP0.83
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide (CID 114253835) is N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide is CCC(C)(C(=O)Nc1cc(C)n(C)n1)/C(N)=N/O.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide?
The InChIKey is FEGIBFMPHDGIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-5-11(3,9(12)15-18)10(17)13-8-6-7(2)16(4)14-8/h6,18H,5H2,1-4H3,(H2,12,15)(H,13,14,17).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide?
N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide has a molecular weight of 253.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide is sourced from PubChem (CID 114253835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).