N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide

C14H12IN5O — CID 5125087

IUPACN-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)NN=Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H12IN5O/c1-20-8-11(15)13(19-20)14(21)18-17-7-9-6-16-12-5-3-2-4-10(9)12/h2-8,16H,1H3,(H,18,21)
InChIKeyLMZWBRWWKDOMAP-UHFFFAOYSA-N
MW393.19 g/mol
LogP2.27
Rot. Bonds3

About N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide

N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 5125087) has the molecular formula C14H12IN5O and a molecular weight of 393.19 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID5125087
Molecular FormulaC14H12IN5O
Molecular Weight393.19 g/mol
Exact Mass393.01
IUPAC NameN-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(=O)NN=Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H12IN5O/c1-20-8-11(15)13(19-20)14(21)18-17-7-9-6-16-12-5-3-2-4-10(9)12/h2-8,16H,1H3,(H,18,21)
InChIKeyLMZWBRWWKDOMAP-UHFFFAOYSA-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'}

Analyze N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1H-indol-3-ylmethylideneamino]-4-iodo-1-methylpyrazole-5-carboxamide
CID 136697519
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 6885012
3-butyl-N-[(E)-1H-indol-3-ylmethylideneamino]-4-oxophthalazine-1-carboxamide
CID 135582496
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
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 135411998
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 136697524
N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 6872092

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide (CID 5125087) is N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide is Cn1cc(I)c(C(=O)NN=Cc2c[nH]c3ccccc23)n1.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is LMZWBRWWKDOMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN5O/c1-20-8-11(15)13(19-20)14(21)18-17-7-9-6-16-12-5-3-2-4-10(9)12/h2-8,16H,1H3,(H,18,21).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide?
N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-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-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 5125087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).