[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone

C16H20N4O — CID 124593909

IUPAC[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccccc1-n1cc(C(=O)N2CCC[C@@H](N)C2)cn1
InChIInChI=1S/C16H20N4O/c1-12-5-2-3-7-15(12)20-10-13(9-18-20)16(21)19-8-4-6-14(17)11-19/h2-3,5,7,9-10,14H,4,6,8,11,17H2,1H3/t14-/m1/s1
InChIKeyBFQCUODTRZXUOE-CQSZACIVSA-N
MW284.36 g/mol
LogP1.74
Rot. Bonds2

About [(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone (PubChem CID 124593909) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
PubChem CID124593909
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccccc1-n1cc(C(=O)N2CCC[C@@H](N)C2)cn1
InChIInChI=1S/C16H20N4O/c1-12-5-2-3-7-15(12)20-10-13(9-18-20)16(21)19-8-4-6-14(17)11-19/h2-3,5,7,9-10,14H,4,6,8,11,17H2,1H3/t14-/m1/s1
InChIKeyBFQCUODTRZXUOE-CQSZACIVSA-N
XLogP1.74
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 75469055
(3S,4S)-4-methyl-1-[1-(2-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120953540
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 120809839
[(3R)-3-aminopiperidin-1-yl]-(3-methylpyrazolo[1,5-a]pyridin-6-yl)methanone
CID 175901256
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124594340
[(3S)-3-(methylamino)piperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone
CID 124575218
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 120745668
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,4-dichlorophenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119413440
6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 129488432
[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 96575104
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chlorophenyl)pyrazol-4-yl]methanone
CID 119412281

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone (CID 124593909) is [(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone is Cc1ccccc1-n1cc(C(=O)N2CCC[C@@H](N)C2)cn1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
The InChIKey is BFQCUODTRZXUOE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-5-2-3-7-15(12)20-10-13(9-18-20)16(21)19-8-4-6-14(17)11-19/h2-3,5,7,9-10,14H,4,6,8,11,17H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 124593909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).