[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C20H22N4OS — CID 134036779

IUPAC[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cn2cccn2)cc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H22N4OS/c25-20(18-6-4-17(5-7-18)15-24-9-2-8-21-24)23-12-10-22(11-13-23)16-19-3-1-14-26-19/h1-9,14H,10-13,15-16H2
InChIKeyZQXBRSVDRHZQDP-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.95
Rot. Bonds5

About [4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 134036779) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is [4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID134036779
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cn2cccn2)cc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H22N4OS/c25-20(18-6-4-17(5-7-18)15-24-9-2-8-21-24)23-12-10-22(11-13-23)16-19-3-1-14-26-19/h1-9,14H,10-13,15-16H2
InChIKeyZQXBRSVDRHZQDP-UHFFFAOYSA-N
XLogP2.95
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 39855099
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 56802463
4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 34709804
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056
N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 134045231
2-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]acetic acid
CID 19622022
[4-[(4-fluorophenoxy)methyl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19585133
5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 86858542
4-hydroxy-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidine-4-carboxylic acid
CID 119250921
N,N-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30507275
(5-hydroxy-3-pyridinyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 63859389

Frequently Asked Questions

What is the IUPAC name of [4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 134036779) is [4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(Cn2cccn2)cc1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of [4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ZQXBRSVDRHZQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-20(18-6-4-17(5-7-18)15-24-9-2-8-21-24)23-12-10-22(11-13-23)16-19-3-1-14-26-19/h1-9,14H,10-13,15-16H2.
What are the key properties of [4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 366.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 134036779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).