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

C23H17N5O — CID 135517142

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C23H17N5O/c29-23(28-25-14-16-13-24-20-11-4-3-9-18(16)20)22-12-21(26-27-22)19-10-5-7-15-6-1-2-8-17(15)19/h1-14,24H,(H,26,27)(H,28,29)/b25-14+
InChIKeyXXZVEAUUAWXIQV-AFUMVMLFSA-N
MW379.42 g/mol
LogP4.48
Rot. Bonds4

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

N-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 135517142) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
PubChem CID135517142
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C23H17N5O/c29-23(28-25-14-16-13-24-20-11-4-3-9-18(16)20)22-12-21(26-27-22)19-10-5-7-15-6-1-2-8-17(15)19/h1-14,24H,(H,26,27)(H,28,29)/b25-14+
InChIKeyXXZVEAUUAWXIQV-AFUMVMLFSA-N
XLogP4.48
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.48
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
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one
CID 44593854
2-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)-1-phenylethanone
CID 136188827
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
3-(5-(morpholinomethyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419980

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (CID 135517142) is N-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is XXZVEAUUAWXIQV-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H17N5O/c29-23(28-25-14-16-13-24-20-11-4-3-9-18(16)20)22-12-21(26-27-22)19-10-5-7-15-6-1-2-8-17(15)19/h1-14,24H,(H,26,27)(H,28,29)/b25-14+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.48, 4 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]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135517142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).