3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

C18H14N6O — CID 135841674

IUPAC3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C\c1ccccn1)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C18H14N6O/c25-18(24-21-10-12-5-3-4-8-19-12)17-9-16(22-23-17)14-11-20-15-7-2-1-6-13(14)15/h1-11,20H,(H,22,23)(H,24,25)/b21-10-
InChIKeyBJLMIGIOKUUYOJ-FBHDLOMBSA-N
MW330.35 g/mol
LogP2.72
Rot. Bonds4

About 3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 135841674) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID135841674
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C\c1ccccn1)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C18H14N6O/c25-18(24-21-10-12-5-3-4-8-19-12)17-9-16(22-23-17)14-11-20-15-7-2-1-6-13(14)15/h1-11,20H,(H,22,23)(H,24,25)/b21-10-
InChIKeyBJLMIGIOKUUYOJ-FBHDLOMBSA-N
XLogP2.72
TPSA98.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.72
H-Bond Donors ≤ 53
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
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
2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-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-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
1H-indole-3-carbohydrazide
CID 27199

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (CID 135841674) is 3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is O=C(N/N=C\c1ccccn1)c1cc(-c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is BJLMIGIOKUUYOJ-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H14N6O/c25-18(24-21-10-12-5-3-4-8-19-12)17-9-16(22-23-17)14-11-20-15-7-2-1-6-13(14)15/h1-11,20H,(H,22,23)(H,24,25)/b21-10-.
What are the key properties of 3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135841674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).