N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide

C14H15N5O — CID 107920822

IUPACN'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide
SMILESN/C(=N/O)c1ccc2c(ccn2CCn2cccn2)c1
InChIInChI=1S/C14H15N5O/c15-14(17-20)12-2-3-13-11(10-12)4-7-18(13)8-9-19-6-1-5-16-19/h1-7,10,20H,8-9H2,(H2,15,17)
InChIKeyFJBIFJDBMVIQRC-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.63
Rot. Bonds4

About N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide

N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide (PubChem CID 107920822) 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-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide
PubChem CID107920822
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide
SMILESN/C(=N/O)c1ccc2c(ccn2CCn2cccn2)c1
InChIInChI=1S/C14H15N5O/c15-14(17-20)12-2-3-13-11(10-12)4-7-18(13)8-9-19-6-1-5-16-19/h1-7,10,20H,8-9H2,(H2,15,17)
InChIKeyFJBIFJDBMVIQRC-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

N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide
CID 107920810
N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide
CID 107920748
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide
CID 107919584
N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide
CID 107920769
N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide
CID 107920767
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-5-carboximidamide
CID 107920837
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24708552
N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24695013
N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide
CID 107017996
N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboximidamide
CID 107917531

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide (CID 107920822) is N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide is N/C(=N/O)c1ccc2c(ccn2CCn2cccn2)c1.
What is the InChIKey of N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide?
The InChIKey is FJBIFJDBMVIQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-14(17-20)12-2-3-13-11(10-12)4-7-18(13)8-9-19-6-1-5-16-19/h1-7,10,20H,8-9H2,(H2,15,17).
What are the key properties of N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide?
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-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-5-carboximidamide is sourced from PubChem (CID 107920822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).