[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone

C21H24N4OS — CID 119519370

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H24N4OS/c1-15(22)16-9-11-24(12-10-16)21(26)18-14-19(20-8-5-13-27-20)25(23-18)17-6-3-2-4-7-17/h2-8,13-16H,9-12,22H2,1H3
InChIKeySMAFHHJADMRKJM-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.80
Rot. Bonds4

About [4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone (PubChem CID 119519370) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone
PubChem CID119519370
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H24N4OS/c1-15(22)16-9-11-24(12-10-16)21(26)18-14-19(20-8-5-13-27-20)25(23-18)17-6-3-2-4-7-17/h2-8,13-16H,9-12,22H2,1H3
InChIKeySMAFHHJADMRKJM-UHFFFAOYSA-N
XLogP3.80
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610532
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
[4-(1-aminoethyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 119516719
3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile
CID 146076048
[4-(1-aminoethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 119517324
(4-hydroxypiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 9245712
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
CID 119518635
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119518136
1-(2-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 43542791
ethyl 1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 169498735

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone (CID 119519370) is [4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone is CC(N)C1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
The InChIKey is SMAFHHJADMRKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15(22)16-9-11-24(12-10-16)21(26)18-14-19(20-8-5-13-27-20)25(23-18)17-6-3-2-4-7-17/h2-8,13-16H,9-12,22H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone has a molecular weight of 380.52 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 119519370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).