(5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone

C16H21ClN4OS — CID 52907395

IUPAC(5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1cc(C)n(CCN2CCN(C(=O)c3ccc(Cl)s3)CC2)n1
InChIInChI=1S/C16H21ClN4OS/c1-12-11-13(2)21(18-12)10-7-19-5-8-20(9-6-19)16(22)14-3-4-15(17)23-14/h3-4,11H,5-10H2,1-2H3
InChIKeyFVVDGVPRWIXWQN-UHFFFAOYSA-N
MW352.89 g/mol
LogP2.67
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 52907395) has the molecular formula C16H21ClN4OS and a molecular weight of 352.89 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID52907395
Molecular FormulaC16H21ClN4OS
Molecular Weight352.89 g/mol
Exact Mass352.11
IUPAC Name(5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1cc(C)n(CCN2CCN(C(=O)c3ccc(Cl)s3)CC2)n1
InChIInChI=1S/C16H21ClN4OS/c1-12-11-13(2)21(18-12)10-7-19-5-8-20(9-6-19)16(22)14-3-4-15(17)23-14/h3-4,11H,5-10H2,1-2H3
InChIKeyFVVDGVPRWIXWQN-UHFFFAOYSA-N
XLogP2.67
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907382
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916355
(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 25236154
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 90508854
3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 43521993
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 90508799
(5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907369
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 71790579
(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560726
(4-tert-butylphenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 71790581

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 52907395) is (5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone is Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(Cl)s3)CC2)n1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is FVVDGVPRWIXWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4OS/c1-12-11-13(2)21(18-12)10-7-19-5-8-20(9-6-19)16(22)14-3-4-15(17)23-14/h3-4,11H,5-10H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 352.89 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 52907395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).