N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide

C17H22N4O — CID 82588326

IUPACN-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nn(C(C)C)c3c2CNCC3)cc1
InChIInChI=1S/C17H22N4O/c1-11(2)21-16-8-9-18-10-15(16)17(20-21)13-4-6-14(7-5-13)19-12(3)22/h4-7,11,18H,8-10H2,1-3H3,(H,19,22)
InChIKeyULJTYUPGMNTVGL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.74
Rot. Bonds3

About N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide

N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide (PubChem CID 82588326) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide
PubChem CID82588326
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nn(C(C)C)c3c2CNCC3)cc1
InChIInChI=1S/C17H22N4O/c1-11(2)21-16-8-9-18-10-15(16)17(20-21)13-4-6-14(7-5-13)19-12(3)22/h4-7,11,18H,8-10H2,1-3H3,(H,19,22)
InChIKeyULJTYUPGMNTVGL-UHFFFAOYSA-N
XLogP2.74
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide with MolForge

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Related Compounds

3-(4-fluorophenyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 141360491
3-ethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586537
3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide
CID 72698833
N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585402
N-(4-hydroxyphenyl)acetamide;piperazine
CID 67107882
(2S)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 28622973
2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide
CID 82588418
ethyl 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 177302574
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
(2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 40640849
4-[(5-acetyl-3-oxo-6-phenyl-2-propan-2-ylpyridazin-4-yl)amino]benzoic acid
CID 69154688
N-(4-methylphenyl)acetamide
CID 7684

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide (CID 82588326) is N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nn(C(C)C)c3c2CNCC3)cc1.
What is the InChIKey of N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide?
The InChIKey is ULJTYUPGMNTVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11(2)21-16-8-9-18-10-15(16)17(20-21)13-4-6-14(7-5-13)19-12(3)22/h4-7,11,18H,8-10H2,1-3H3,(H,19,22).
What are the key properties of N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide?
N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 82588326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).