2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one

C19H26N4O — CID 95196951

IUPAC2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C(C)(C)N)C2)cc1
InChIInChI=1S/C19H26N4O/c1-13-6-8-14(9-7-13)16-11-21-22-17(16)15-5-4-10-23(12-15)18(24)19(2,3)20/h6-9,11,15H,4-5,10,12,20H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyFHKBRDWIFLSCEW-HNNXBMFYSA-N
MW326.44 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one

2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one (PubChem CID 95196951) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
PubChem CID95196951
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C(C)(C)N)C2)cc1
InChIInChI=1S/C19H26N4O/c1-13-6-8-14(9-7-13)16-11-21-22-17(16)15-5-4-10-23(12-15)18(24)19(2,3)20/h6-9,11,15H,4-5,10,12,20H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyFHKBRDWIFLSCEW-HNNXBMFYSA-N
XLogP2.83
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56744023
2-hydroxy-2-methyl-1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 56746262
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
(5-hydroxy-2-pyridinyl)-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56740484
(2-cyclopropylpyrimidin-5-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95223415
1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 56738196
N-[3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]acetamide
CID 70731856
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95208493
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95205309
1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 95216001

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one (CID 95196951) is 2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one is Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C(C)(C)N)C2)cc1.
What is the InChIKey of 2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The InChIKey is FHKBRDWIFLSCEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-6-8-14(9-7-13)16-11-21-22-17(16)15-5-4-10-23(12-15)18(24)19(2,3)20/h6-9,11,15H,4-5,10,12,20H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95196951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).