N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide

C15H15N5O — CID 5412211

IUPACN-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCc1c(/C=N\NC(=O)c2c[nH]c3ccccc23)cnn1C
InChIInChI=1S/C15H15N5O/c1-10-11(8-18-20(10)2)7-17-19-15(21)13-9-16-14-6-4-3-5-12(13)14/h3-9,16H,1-2H3,(H,19,21)/b17-7-
InChIKeyIJFFLRFIOGPGDW-IDUWFGFVSA-N
MW281.32 g/mol
LogP1.97
Rot. Bonds3

About N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide

N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 5412211) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID5412211
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCc1c(/C=N\NC(=O)c2c[nH]c3ccccc23)cnn1C
InChIInChI=1S/C15H15N5O/c1-10-11(8-18-20(10)2)7-17-19-15(21)13-9-16-14-6-4-3-5-12(13)14/h3-9,16H,1-2H3,(H,19,21)/b17-7-
InChIKeyIJFFLRFIOGPGDW-IDUWFGFVSA-N
XLogP1.97
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

PF-477736
CID 135565545
3-Acetylindole
CID 12802
1H-indole-3-carboxamide
CID 2192542
Indole, 3-(dimethylaminoacetyl)-
CID 34863
(2R)-2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.0^{4,13]trideca-1(12),2,4,6,8(13)-pentaen-6-yl]acetamide
CID 135984730
3-(3-Dimethylaminopropionyl)indole
CID 32750
Benzoic acid (1H-indol-3-ylmethylene)-hydrazide
CID 135495642
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
1H-indole-3-carbohydrazide
CID 27199
2-((1H-indol-3-yl)methyl)-1H-indole-3-carbaldehyde
CID 10265357
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide (CID 5412211) is N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide is Cc1c(/C=N\NC(=O)c2c[nH]c3ccccc23)cnn1C.
What is the InChIKey of N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is IJFFLRFIOGPGDW-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-11(8-18-20(10)2)7-17-19-15(21)13-9-16-14-6-4-3-5-12(13)14/h3-9,16H,1-2H3,(H,19,21)/b17-7-.
What are the key properties of N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide?
N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5412211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).