(3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone

C19H20N4O2 — CID 50974295

IUPAC(3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)[nH]n1
InChIInChI=1S/C19H20N4O2/c20-18-10-16(21-22-18)19(25)23-8-7-15(17(24)11-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9-10,15,17,24H,7-8,11H2,(H3,20,21,22)/t15-,17+/m0/s1
InChIKeyULQMRHYQCJGQHD-DOTOQJQBSA-N
MW336.40 g/mol
LogP2.14
Rot. Bonds2

About (3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone (PubChem CID 50974295) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
PubChem CID50974295
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)[nH]n1
InChIInChI=1S/C19H20N4O2/c20-18-10-16(21-22-18)19(25)23-8-7-15(17(24)11-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9-10,15,17,24H,7-8,11H2,(H3,20,21,22)/t15-,17+/m0/s1
InChIKeyULQMRHYQCJGQHD-DOTOQJQBSA-N
XLogP2.14
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56720609
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]propan-1-one
CID 56715170
[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 133121327
(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56723097
(1-ethylpyrazol-4-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56714390
1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 133124285
[4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 46987862
methyl 1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 50972858
1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
CID 133127141
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 56722752
(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 64526002

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone (CID 50974295) is (3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone is Nc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)[nH]n1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The InChIKey is ULQMRHYQCJGQHD-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-18-10-16(21-22-18)19(25)23-8-7-15(17(24)11-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9-10,15,17,24H,7-8,11H2,(H3,20,21,22)/t15-,17+/m0/s1.
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 50974295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).