3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide

C19H25N3O2 — CID 110026083

IUPAC3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide
SMILESCN(C(=O)CC(C)(O)c1ccccc1)C1CCCc2c1cnn2C
InChIInChI=1S/C19H25N3O2/c1-19(24,14-8-5-4-6-9-14)12-18(23)21(2)16-10-7-11-17-15(16)13-20-22(17)3/h4-6,8-9,13,16,24H,7,10-12H2,1-3H3
InChIKeyDGRNMEFCRXZZHS-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.55
Rot. Bonds4

About 3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide

3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide (PubChem CID 110026083) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide
PubChem CID110026083
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide
SMILESCN(C(=O)CC(C)(O)c1ccccc1)C1CCCc2c1cnn2C
InChIInChI=1S/C19H25N3O2/c1-19(24,14-8-5-4-6-9-14)12-18(23)21(2)16-10-7-11-17-15(16)13-20-22(17)3/h4-6,8-9,13,16,24H,7,10-12H2,1-3H3
InChIKeyDGRNMEFCRXZZHS-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 126772467
N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide
CID 166231848
1-(2,6-difluorophenyl)-N-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]methanesulfonamide
CID 99718097
N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide
CID 97238870
N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 97157689
3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide
CID 110025782
(4R)-N-[2-(2,5-dimethylphenyl)sulfonylethyl]-N,1-dimethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 97070120
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]benzoic acid
CID 43254716
N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide
CID 99836946
2-[(4R)-4-[(3,5-ditert-butylphenyl)sulfonyl-methylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
CID 44612261

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide (CID 110026083) is 3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide is CN(C(=O)CC(C)(O)c1ccccc1)C1CCCc2c1cnn2C.
What is the InChIKey of 3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide?
The InChIKey is DGRNMEFCRXZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(24,14-8-5-4-6-9-14)12-18(23)21(2)16-10-7-11-17-15(16)13-20-22(17)3/h4-6,8-9,13,16,24H,7,10-12H2,1-3H3.
What are the key properties of 3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide?
3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide has a molecular weight of 327.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide is sourced from PubChem (CID 110026083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).