N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide

C13H11N5O — CID 135510250

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccn[nH]1
InChIInChI=1S/C13H11N5O/c19-13(12-5-6-15-17-12)18-16-8-9-7-14-11-4-2-1-3-10(9)11/h1-8,14H,(H,15,17)(H,18,19)/b16-8+
InChIKeyRXWXVIDUNFJRST-LZYBPNLTSA-N
MW253.27 g/mol
LogP1.65
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 135510250) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID135510250
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccn[nH]1
InChIInChI=1S/C13H11N5O/c19-13(12-5-6-15-17-12)18-16-8-9-7-14-11-4-2-1-3-10(9)11/h1-8,14H,(H,15,17)(H,18,19)/b16-8+
InChIKeyRXWXVIDUNFJRST-LZYBPNLTSA-N
XLogP1.65
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
(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
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
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 44596891
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
US10022354, Example 69
CID 121279703

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide (CID 135510250) is N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1ccn[nH]1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is RXWXVIDUNFJRST-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H11N5O/c19-13(12-5-6-15-17-12)18-16-8-9-7-14-11-4-2-1-3-10(9)11/h1-8,14H,(H,15,17)(H,18,19)/b16-8+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135510250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).