N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C18H25N3O2 — CID 70758162

IUPACN-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(C(CCO)NC(=O)c2cc(C(C)C)nn2C)cc1
InChIInChI=1S/C18H25N3O2/c1-12(2)16-11-17(21(4)20-16)18(23)19-15(9-10-22)14-7-5-13(3)6-8-14/h5-8,11-12,15,22H,9-10H2,1-4H3,(H,19,23)
InChIKeyHBUMUYBFFBXYQJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.71
Rot. Bonds6

About N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 70758162) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID70758162
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(C(CCO)NC(=O)c2cc(C(C)C)nn2C)cc1
InChIInChI=1S/C18H25N3O2/c1-12(2)16-11-17(21(4)20-16)18(23)19-15(9-10-22)14-7-5-13(3)6-8-14/h5-8,11-12,15,22H,9-10H2,1-4H3,(H,19,23)
InChIKeyHBUMUYBFFBXYQJ-UHFFFAOYSA-N
XLogP2.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 96582437
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50948945
1-methyl-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96572217
1-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35529711
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 58417388
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 99929121
(3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95874013
N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97052134
1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide
CID 97098017
1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19279641
1-ethyl-N-[3-hydroxy-1-(4-methylphenyl)propyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 77097931

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 70758162) is N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is Cc1ccc(C(CCO)NC(=O)c2cc(C(C)C)nn2C)cc1.
What is the InChIKey of N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is HBUMUYBFFBXYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(2)16-11-17(21(4)20-16)18(23)19-15(9-10-22)14-7-5-13(3)6-8-14/h5-8,11-12,15,22H,9-10H2,1-4H3,(H,19,23).
What are the key properties of N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 70758162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).