N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

C14H12N6O — CID 123185559

IUPACN-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILES[H]/N=C/C(=C)NC(=O)c1n[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C14H12N6O/c1-8(5-15)18-14(21)13-11-3-2-9(4-12(11)19-20-13)10-6-16-17-7-10/h2-7,15H,1H2,(H,16,17)(H,18,21)(H,19,20)/b15-5+
InChIKeyMGGFNDSSGXDAFL-PJQLUOCWSA-N
MW280.29 g/mol
LogP1.85
Rot. Bonds4

About N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 123185559) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID123185559
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC NameN-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILES[H]/N=C/C(=C)NC(=O)c1n[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C14H12N6O/c1-8(5-15)18-14(21)13-11-3-2-9(4-12(11)19-20-13)10-6-16-17-7-10/h2-7,15H,1H2,(H,16,17)(H,18,21)(H,19,20)/b15-5+
InChIKeyMGGFNDSSGXDAFL-PJQLUOCWSA-N
XLogP1.85
TPSA110.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-propan-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267344
N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077939
N-[1-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 144529909
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267375
N-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267356
N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 67107127
N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 123936431
6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267328
2-[1-(2-ethylbutyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
CID 159337628
6-phenyl-1H-indazole-3-carboxylic acid
CID 74892779
5-amino-N-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 54944301
6-bromo-1H-indazole-3-carbohydrazide
CID 130118976

Frequently Asked Questions

What is the IUPAC name of N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (CID 123185559) is N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is [H]/N=C/C(=C)NC(=O)c1n[nH]c2cc(-c3cn[nH]c3)ccc12.
What is the InChIKey of N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is MGGFNDSSGXDAFL-PJQLUOCWSA-N. The full InChI is InChI=1S/C14H12N6O/c1-8(5-15)18-14(21)13-11-3-2-9(4-12(11)19-20-13)10-6-16-17-7-10/h2-7,15H,1H2,(H,16,17)(H,18,21)(H,19,20)/b15-5+.
What are the key properties of N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminoprop-1-en-2-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 123185559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).