(2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C15H20N4OS — CID 56816514

IUPAC(2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)n(C)n1
InChIInChI=1S/C15H20N4OS/c1-12-9-14(17(2)16-12)15(20)19-6-4-18(5-7-19)10-13-3-8-21-11-13/h3,8-9,11H,4-7,10H2,1-2H3
InChIKeyJWOCOUBXCOFHBA-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.75
Rot. Bonds3

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

(2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 56816514) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID56816514
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)n(C)n1
InChIInChI=1S/C15H20N4OS/c1-12-9-14(17(2)16-12)15(20)19-6-4-18(5-7-19)10-13-3-8-21-11-13/h3,8-9,11H,4-7,10H2,1-2H3
InChIKeyJWOCOUBXCOFHBA-UHFFFAOYSA-N
XLogP1.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10710468
1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
1-Cyclopentyl-3-ethyl-6-thiophen-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10734134
N-({1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl}methyl)-2-thiophenesulfonamide
CID 16189525
N-({1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}methyl)thiophene-2-sulfonamide
CID 16187961
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42285750
5-[3-(3,5-Dimethylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-3-carboxamide
CID 53571032
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 56781789
(5-propan-2-yl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 56814125
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 72044290
2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 72143662

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 56816514) is (2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is JWOCOUBXCOFHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-12-9-14(17(2)16-12)15(20)19-6-4-18(5-7-19)10-13-3-8-21-11-13/h3,8-9,11H,4-7,10H2,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 304.42 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56816514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).