N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide

C14H15N5O — CID 107920767

IUPACN'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide
SMILESCn1ccc(Cn2ccc3cc(/C(N)=N/O)ccc32)n1
InChIInChI=1S/C14H15N5O/c1-18-6-5-12(16-18)9-19-7-4-10-8-11(14(15)17-20)2-3-13(10)19/h2-8,20H,9H2,1H3,(H2,15,17)
InChIKeyUWCKYEJQWMXBCV-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.52
Rot. Bonds3

About N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide

N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide (PubChem CID 107920767) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide
PubChem CID107920767
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide
SMILESCn1ccc(Cn2ccc3cc(/C(N)=N/O)ccc32)n1
InChIInChI=1S/C14H15N5O/c1-18-6-5-12(16-18)9-19-7-4-10-8-11(14(15)17-20)2-3-13(10)19/h2-8,20H,9H2,1H3,(H2,15,17)
InChIKeyUWCKYEJQWMXBCV-UHFFFAOYSA-N
XLogP1.52
TPSA81.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.52
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-(pyridin-4-ylmethyl)indole-5-carboximidamide
CID 107920748
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide
CID 107920810
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide
CID 107920822
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-5-carboximidamide
CID 107920837
N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboximidamide
CID 107917531
N'-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboximidamide
CID 162366396
N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 103567501
1-[(1-methylpyrazol-3-yl)methyl]indole-6-carbonitrile
CID 107917098
1-[(6-methyl-2-pyridinyl)methyl]indole-5-carbothioamide
CID 107920643
1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbothioamide
CID 107919313
N'-hydroxy-1-(2-methylsulfonylethyl)indole-6-carboximidamide
CID 107917533

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide (CID 107920767) is N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide is Cn1ccc(Cn2ccc3cc(/C(N)=N/O)ccc32)n1.
What is the InChIKey of N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide?
The InChIKey is UWCKYEJQWMXBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18-6-5-12(16-18)9-19-7-4-10-8-11(14(15)17-20)2-3-13(10)19/h2-8,20H,9H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide?
N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide has a molecular weight of 269.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide is sourced from PubChem (CID 107920767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).