[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride

C20H23ClN4OS — CID 119491605

IUPAC[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1.Cl
InChIInChI=1S/C20H22N4OS.ClH/c1-21-15-7-5-11-23(13-15)20(25)17-14-24(16-8-3-2-4-9-16)22-19(17)18-10-6-12-26-18;/h2-4,6,8-10,12,14-15,21H,5,7,11,13H2,1H3;1H
InChIKeyMCZGGTCBJIGNBN-UHFFFAOYSA-N
MW402.95 g/mol
LogP3.85
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride (PubChem CID 119491605) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
PubChem CID119491605
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC Name[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1.Cl
InChIInChI=1S/C20H22N4OS.ClH/c1-21-15-7-5-11-23(13-15)20(25)17-14-24(16-8-3-2-4-9-16)22-19(17)18-10-6-12-26-18;/h2-4,6,8-10,12,14-15,21H,5,7,11,13H2,1H3;1H
InChIKeyMCZGGTCBJIGNBN-UHFFFAOYSA-N
XLogP3.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

(3S)-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113520
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 75835258
(4-methyl-1,4-diazepan-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 78769505
(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119375478
(3-tert-butyl-1-phenylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119494042
N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491792
N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46565675
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 55516612
N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 42115461
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 55987291

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride (CID 119491605) is [3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride is CNC1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride?
The InChIKey is MCZGGTCBJIGNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS.ClH/c1-21-15-7-5-11-23(13-15)20(25)17-14-24(16-8-3-2-4-9-16)22-19(17)18-10-6-12-26-18;/h2-4,6,8-10,12,14-15,21H,5,7,11,13H2,1H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride has a molecular weight of 402.95 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119491605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).