6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide

C18H23N5O2 — CID 123514496

IUPAC6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
SMILESC=CC=C(C)Cn1cc(NC(=O)c2n[nH]c3c2CCC(C)(O)C3)cn1
InChIInChI=1S/C18H23N5O2/c1-4-5-12(2)10-23-11-13(9-19-23)20-17(24)16-14-6-7-18(3,25)8-15(14)21-22-16/h4-5,9,11,25H,1,6-8,10H2,2-3H3,(H,20,24)(H,21,22)
InChIKeyMICJLESXLYTVLN-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.23
Rot. Bonds5

About 6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide

6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide (PubChem CID 123514496) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
PubChem CID123514496
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
SMILESC=CC=C(C)Cn1cc(NC(=O)c2n[nH]c3c2CCC(C)(O)C3)cn1
InChIInChI=1S/C18H23N5O2/c1-4-5-12(2)10-23-11-13(9-19-23)20-17(24)16-14-6-7-18(3,25)8-15(14)21-22-16/h4-5,9,11,25H,1,6-8,10H2,2-3H3,(H,20,24)(H,21,22)
InChIKeyMICJLESXLYTVLN-UHFFFAOYSA-N
XLogP2.23
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037346
(4aS,5aR)-N-[1-(azetidin-3-yl)pyrazol-4-yl]-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 167190125
N-[1-(3-amino-1-phenylpropyl)pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037626
N-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 74983355
tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 166113689
N-[1-[azetidin-3-yl-(3-methylphenyl)methyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 73293241
N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane
CID 166112906
N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide
CID 166112907
6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 147064875
6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 73293239
N-[1-[(1,1-dihydroxy-1,4-thiazinan-2-yl)-phenylmethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 118116590
3-[[1-[3-[ethyl(sulfino)amino]-1-phenylpropyl]pyrazol-4-yl]carbamoyl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole
CID 122669350

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide (CID 123514496) is 6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide is C=CC=C(C)Cn1cc(NC(=O)c2n[nH]c3c2CCC(C)(O)C3)cn1.
What is the InChIKey of 6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide?
The InChIKey is MICJLESXLYTVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-5-12(2)10-23-11-13(9-19-23)20-17(24)16-14-6-7-18(3,25)8-15(14)21-22-16/h4-5,9,11,25H,1,6-8,10H2,2-3H3,(H,20,24)(H,21,22).
What are the key properties of 6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide?
6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-N-[1-(2-methylpenta-2,4-dienyl)pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 123514496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).