[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

C20H28N4O2 — CID 95851475

IUPAC[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CCN(C)C)[nH]n2)cc1
InChIInChI=1S/C20H28N4O2/c1-23(2)13-11-16-6-4-5-12-24(16)20(25)19-14-18(21-22-19)15-7-9-17(26-3)10-8-15/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyIURAGYOURRYKCM-INIZCTEOSA-N
MW356.47 g/mol
LogP3.03
Rot. Bonds6

About [(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 95851475) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID95851475
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CCN(C)C)[nH]n2)cc1
InChIInChI=1S/C20H28N4O2/c1-23(2)13-11-16-6-4-5-12-24(16)20(25)19-14-18(21-22-19)15-7-9-17(26-3)10-8-15/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyIURAGYOURRYKCM-INIZCTEOSA-N
XLogP3.03
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 2031826
N-cyclopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 3780243
N'-{(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene}-1H-pyrazole-3-carbohydrazide
CID 9698850
7-methoxy-N-(3-methylbutyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 20954080
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 723663
3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 776488
5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide
CID 801126
1H-indazol-3-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2572779
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 44191420

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 95851475) is [(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CCN(C)C)[nH]n2)cc1.
What is the InChIKey of [(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is IURAGYOURRYKCM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23(2)13-11-16-6-4-5-12-24(16)20(25)19-14-18(21-22-19)15-7-9-17(26-3)10-8-15/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of [(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 95851475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).