N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide

C10H17N5O2 — CID 114251780

IUPACN-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
SMILESCCC(C(=O)Nc1ccn(CC)n1)/C(N)=N/O
InChIInChI=1S/C10H17N5O2/c1-3-7(9(11)14-17)10(16)12-8-5-6-15(4-2)13-8/h5-7,17H,3-4H2,1-2H3,(H2,11,14)(H,12,13,16)
InChIKeyLJCYAHSOOXCNOJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.61
Rot. Bonds5

About N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide

N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide (PubChem CID 114251780) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
PubChem CID114251780
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
SMILESCCC(C(=O)Nc1ccn(CC)n1)/C(N)=N/O
InChIInChI=1S/C10H17N5O2/c1-3-7(9(11)14-17)10(16)12-8-5-6-15(4-2)13-8/h5-7,17H,3-4H2,1-2H3,(H2,11,14)(H,12,13,16)
InChIKeyLJCYAHSOOXCNOJ-UHFFFAOYSA-N
XLogP0.61
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.61
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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Related Compounds

N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
CID 130927400
N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925907
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpyrazol-4-yl)butanamide
CID 76925347
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 114170957
N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77034566
N-(5-fluoro-2-methylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926207
N-(2-fluoro-4-methylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926222
N-(4-chloro-2-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926138
N-(4-bromo-2-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76924610
6-amino-3-chloro-N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 114252338
N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
N-(1,3-benzothiazol-6-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107806503

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide (CID 114251780) is N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide is CCC(C(=O)Nc1ccn(CC)n1)/C(N)=N/O.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide?
The InChIKey is LJCYAHSOOXCNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-7(9(11)14-17)10(16)12-8-5-6-15(4-2)13-8/h5-7,17H,3-4H2,1-2H3,(H2,11,14)(H,12,13,16).
What are the key properties of N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide?
N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide has a molecular weight of 239.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide is sourced from PubChem (CID 114251780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).