(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride

C19H21ClN4OS — CID 119375478

IUPAC(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C19H20N4OS.ClH/c20-14-8-10-22(11-9-14)19(24)16-13-23(15-5-2-1-3-6-15)21-18(16)17-7-4-12-25-17;/h1-7,12-14H,8-11,20H2;1H
InChIKeyFDHPEYRAGQWFEV-UHFFFAOYSA-N
MW388.92 g/mol
LogP3.59
Rot. Bonds3

About (4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride (PubChem CID 119375478) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
PubChem CID119375478
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C19H20N4OS.ClH/c20-14-8-10-22(11-9-14)19(24)16-13-23(15-5-2-1-3-6-15)21-18(16)17-7-4-12-25-17;/h1-7,12-14H,8-11,20H2;1H
InChIKeyFDHPEYRAGQWFEV-UHFFFAOYSA-N
XLogP3.59
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
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(4-methyl-1,4-diazepan-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
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N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
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(3S)-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113520
[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119491605
N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
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N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 42115461
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 55987291
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 75835258
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 134056723
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride (CID 119375478) is (4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride is Cl.NC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride?
The InChIKey is FDHPEYRAGQWFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS.ClH/c20-14-8-10-22(11-9-14)19(24)16-13-23(15-5-2-1-3-6-15)21-18(16)17-7-4-12-25-17;/h1-7,12-14H,8-11,20H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride has a molecular weight of 388.92 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119375478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).