(4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

C18H26N4OS — CID 19585599

IUPAC(4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(CN2CCN(C(=O)c3cc(C)c(C)s3)CC2)c(C)n1
InChIInChI=1S/C18H26N4OS/c1-5-22-12-16(14(3)19-22)11-20-6-8-21(9-7-20)18(23)17-10-13(2)15(4)24-17/h10,12H,5-9,11H2,1-4H3
InChIKeyASSANSGANXHBGK-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.85
Rot. Bonds4

About (4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

(4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 19585599) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID19585599
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(CN2CCN(C(=O)c3cc(C)c(C)s3)CC2)c(C)n1
InChIInChI=1S/C18H26N4OS/c1-5-22-12-16(14(3)19-22)11-20-6-8-21(9-7-20)18(23)17-10-13(2)15(4)24-17/h10,12H,5-9,11H2,1-4H3
InChIKeyASSANSGANXHBGK-UHFFFAOYSA-N
XLogP2.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
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CID 6162770
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(5-ethylthiophen-2-yl)prop-2-en-1-one
CID 6261005
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-hydroxy-5-(1-(3-phenylpropyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418166
(4-methylpiperazino)[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]methanone
CID 3707797
N-hydroxy-5-(1-(2-(phenethylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418137
5-(1-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 44418143
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (CID 19585599) is (4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is CCn1cc(CN2CCN(C(=O)c3cc(C)c(C)s3)CC2)c(C)n1.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is ASSANSGANXHBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-5-22-12-16(14(3)19-22)11-20-6-8-21(9-7-20)18(23)17-10-13(2)15(4)24-17/h10,12H,5-9,11H2,1-4H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
(4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 346.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19585599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).