1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one

C16H20N4O — CID 84582003

IUPAC1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCc3c(N)n[nH]c3C2)cc1
InChIInChI=1S/C16H20N4O/c1-11-2-4-12(5-3-11)6-7-15(21)20-9-8-13-14(10-20)18-19-16(13)17/h2-5H,6-10H2,1H3,(H3,17,18,19)
InChIKeyJSPATNLTHHRIDB-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.82
Rot. Bonds3

About 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one

1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one (PubChem CID 84582003) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one
PubChem CID84582003
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCc3c(N)n[nH]c3C2)cc1
InChIInChI=1S/C16H20N4O/c1-11-2-4-12(5-3-11)6-7-15(21)20-9-8-13-14(10-20)18-19-16(13)17/h2-5H,6-10H2,1H3,(H3,17,18,19)
InChIKeyJSPATNLTHHRIDB-UHFFFAOYSA-N
XLogP1.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one with MolForge

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Related Compounds

3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone
CID 84579523
3-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 108725988
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 55220018
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
1-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 46075201
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 54878914
1-(3,4-dihydroxypyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 106670987
3-amino-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 107323346
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one (CID 84582003) is 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one is Cc1ccc(CCC(=O)N2CCc3c(N)n[nH]c3C2)cc1.
What is the InChIKey of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one?
The InChIKey is JSPATNLTHHRIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-2-4-12(5-3-11)6-7-15(21)20-9-8-13-14(10-20)18-19-16(13)17/h2-5H,6-10H2,1H3,(H3,17,18,19).
What are the key properties of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one?
1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one has a molecular weight of 284.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 84582003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).