(5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

C14H17ClN4OS — CID 52907369

IUPAC(5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C14H17ClN4OS/c15-13-3-2-12(21-13)14(20)18-9-6-17(7-10-18)8-11-19-5-1-4-16-19/h1-5H,6-11H2
InChIKeyBFWOZVSMRVLNNL-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.06
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 52907369) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID52907369
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name(5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C14H17ClN4OS/c15-13-3-2-12(21-13)14(20)18-9-6-17(7-10-18)8-11-19-5-1-4-16-19/h1-5H,6-11H2
InChIKeyBFWOZVSMRVLNNL-UHFFFAOYSA-N
XLogP2.06
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560726
(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 25236154
3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 43521993
(5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907395
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
(4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 47525513
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(5-chloro-2-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907336
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)-1,4-diazepan-1-yl]methanone
CID 71790539
(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 151434811
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 121094912

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (CID 52907369) is (5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is BFWOZVSMRVLNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c15-13-3-2-12(21-13)14(20)18-9-6-17(7-10-18)8-11-19-5-1-4-16-19/h1-5H,6-11H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 324.84 g/mol, XLogP of 2.06, 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-pyrazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 52907369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).