N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide

C14H12IN5O — CID 136697519

IUPACN-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C14H12IN5O/c1-20-13(11(15)8-18-20)14(21)19-17-7-9-6-16-12-5-3-2-4-10(9)12/h2-8,16H,1H3,(H,19,21)/b17-7-
InChIKeyMVXVSSFGZPZWQZ-IDUWFGFVSA-N
MW393.19 g/mol
LogP2.27
Rot. Bonds3

About N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide

N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide (PubChem CID 136697519) has the molecular formula C14H12IN5O and a molecular weight of 393.19 g/mol. Its IUPAC name is N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide
PubChem CID136697519
Molecular FormulaC14H12IN5O
Molecular Weight393.19 g/mol
Exact Mass393.01
IUPAC NameN-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C14H12IN5O/c1-20-13(11(15)8-18-20)14(21)19-17-7-9-6-16-12-5-3-2-4-10(9)12/h2-8,16H,1H3,(H,19,21)/b17-7-
InChIKeyMVXVSSFGZPZWQZ-IDUWFGFVSA-N
XLogP2.27
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5125087
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide (CID 136697519) is N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide is Cn1ncc(I)c1C(=O)N/N=C\c1c[nH]c2ccccc12.
What is the InChIKey of N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide?
The InChIKey is MVXVSSFGZPZWQZ-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H12IN5O/c1-20-13(11(15)8-18-20)14(21)19-17-7-9-6-16-12-5-3-2-4-10(9)12/h2-8,16H,1H3,(H,19,21)/b17-7-.
What are the key properties of N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide?
N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide has a molecular weight of 393.19 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 136697519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).