1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine

C15H26N4S — CID 91839725

IUPAC1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine
SMILESCc1ccnn1CCN1CCN(C2CCSCC2)CC1
InChIInChI=1S/C15H26N4S/c1-14-2-5-16-19(14)11-8-17-6-9-18(10-7-17)15-3-12-20-13-4-15/h2,5,15H,3-4,6-13H2,1H3
InChIKeyDNDUUSYYRJEREH-UHFFFAOYSA-N
MW294.47 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine

1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine (PubChem CID 91839725) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine.

Molecular Properties

Compound Name1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine
PubChem CID91839725
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine
SMILESCc1ccnn1CCN1CCN(C2CCSCC2)CC1
InChIInChI=1S/C15H26N4S/c1-14-2-5-16-19(14)11-8-17-6-9-18(10-7-17)15-3-12-20-13-4-15/h2,5,15H,3-4,6-13H2,1H3
InChIKeyDNDUUSYYRJEREH-UHFFFAOYSA-N
XLogP1.70
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-N,N-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-amine
CID 124755731
5-methyl-1-(thian-4-yl)pyrazole
CID 84732484
3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one
CID 91828418
1-(2-cyclopentylethyl)-5-methylpyrazole
CID 130479233
1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-4-(thian-4-yl)piperazine
CID 77086729
1-cyclopentyl-4-[2-(4-methylpyrazol-1-yl)ethyl]piperazine
CID 171701763
N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide
CID 91833419
1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 31134485
(2S)-1-(cyclopropylmethyl)-4-[2-(5-methylpyrazol-1-yl)ethyl]-2-propan-2-yl-1,4-diazepane
CID 98770542
N-cyclopentyl-4-methoxy-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 154565630
5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 56902534
2-(4-cyclopropylpiperazin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55089324

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine?
The IUPAC name of 1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine (CID 91839725) is 1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine.
What is the SMILES notation for 1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine?
The canonical SMILES for 1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine is Cc1ccnn1CCN1CCN(C2CCSCC2)CC1.
What is the InChIKey of 1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine?
The InChIKey is DNDUUSYYRJEREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-14-2-5-16-19(14)11-8-17-6-9-18(10-7-17)15-3-12-20-13-4-15/h2,5,15H,3-4,6-13H2,1H3.
What are the key properties of 1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine?
1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine has a molecular weight of 294.47 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine is sourced from PubChem (CID 91839725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).