N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C19H25N3O2 — CID 146126250

IUPACN-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC(C)C(C)O)c3c2CCCC3)cc1
InChIInChI=1S/C19H25N3O2/c1-12-8-10-15(11-9-12)22-17-7-5-4-6-16(17)18(21-22)19(24)20-13(2)14(3)23/h8-11,13-14,23H,4-7H2,1-3H3,(H,20,24)
InChIKeyZYSPVIWURBMHMB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.56
Rot. Bonds4

About N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 146126250) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID146126250
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC(C)C(C)O)c3c2CCCC3)cc1
InChIInChI=1S/C19H25N3O2/c1-12-8-10-15(11-9-12)22-17-7-5-4-6-16(17)18(21-22)19(24)20-13(2)14(3)23/h8-11,13-14,23H,4-7H2,1-3H3,(H,20,24)
InChIKeyZYSPVIWURBMHMB-UHFFFAOYSA-N
XLogP2.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 95767759
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
2-[[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119223631
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
N-[2-(methylamino)ethyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 119503192
3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]propanoic acid
CID 119351217
2-[[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]propanoic acid
CID 119225220
1-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55879885
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084
N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166232006
N-[2-(4-aminophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119547507
N-(5-amino-2-methylphenyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 120568710

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 146126250) is N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NC(C)C(C)O)c3c2CCCC3)cc1.
What is the InChIKey of N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is ZYSPVIWURBMHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12-8-10-15(11-9-12)22-17-7-5-4-6-16(17)18(21-22)19(24)20-13(2)14(3)23/h8-11,13-14,23H,4-7H2,1-3H3,(H,20,24).
What are the key properties of N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 146126250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).