N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide

C14H15N5O — CID 107919584

IUPACN'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide
SMILESN/C(=N/O)c1cccc2c1ccn2CCn1cccn1
InChIInChI=1S/C14H15N5O/c15-14(17-20)12-3-1-4-13-11(12)5-8-18(13)9-10-19-7-2-6-16-19/h1-8,20H,9-10H2,(H2,15,17)
InChIKeyVFWGAWOWWCNQPK-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.63
Rot. Bonds4

About N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide

N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide (PubChem CID 107919584) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide
PubChem CID107919584
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide
SMILESN/C(=N/O)c1cccc2c1ccn2CCn1cccn1
InChIInChI=1S/C14H15N5O/c15-14(17-20)12-3-1-4-13-11(12)5-8-18(13)9-10-19-7-2-6-16-19/h1-8,20H,9-10H2,(H2,15,17)
InChIKeyVFWGAWOWWCNQPK-UHFFFAOYSA-N
XLogP1.63
TPSA81.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
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

1-hexyl-N'-hydroxyindole-4-carboximidamide
CID 107919489
N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide
CID 107017996
1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide
CID 114015889
4-fluoro-1-(2-pyrazol-1-ylethyl)indole
CID 82794921
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide
CID 107920822
2-[4-(N'-hydroxycarbamimidoyl)indol-1-yl]acetic acid
CID 173101260
1-(2,2-difluoroethyl)-N'-hydroxyindole-4-carboximidamide
CID 107919513
4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide
CID 107919541
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxyindole-4-carboximidamide
CID 107919516
methyl 3-[4-[(E)-N'-hydroxycarbamimidoyl]indazol-1-yl]propanoate
CID 173471063
N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24708552

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide (CID 107919584) is N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide is N/C(=N/O)c1cccc2c1ccn2CCn1cccn1.
What is the InChIKey of N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide?
The InChIKey is VFWGAWOWWCNQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-14(17-20)12-3-1-4-13-11(12)5-8-18(13)9-10-19-7-2-6-16-19/h1-8,20H,9-10H2,(H2,15,17).
What are the key properties of N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide?
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide has a molecular weight of 269.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide is sourced from PubChem (CID 107919584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).