N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C17H20N4O — CID 3455772

IUPACN-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCC(=NNC(=O)c1n[nH]c2c1CCCC2)c1ccccc1
InChIInChI=1S/C17H20N4O/c1-2-14(12-8-4-3-5-9-12)18-21-17(22)16-13-10-6-7-11-15(13)19-20-16/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyWLORXXPLRWKFBY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.83
Rot. Bonds4

About N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 3455772) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID3455772
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCC(=NNC(=O)c1n[nH]c2c1CCCC2)c1ccccc1
InChIInChI=1S/C17H20N4O/c1-2-14(12-8-4-3-5-9-12)18-21-17(22)16-13-10-6-7-11-15(13)19-20-16/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyWLORXXPLRWKFBY-UHFFFAOYSA-N
XLogP2.83
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
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

N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 872955
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3975451
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6142473
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 5405927
N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 6052947
2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid
CID 75497786
2-[2-[(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 2039528
2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605
N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820248
N-[(Z)-(4-methylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5392938

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 3455772) is N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CCC(=NNC(=O)c1n[nH]c2c1CCCC2)c1ccccc1.
What is the InChIKey of N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is WLORXXPLRWKFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-14(12-8-4-3-5-9-12)18-21-17(22)16-13-10-6-7-11-15(13)19-20-16/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 3455772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).