1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine

C13H17N5O2S — CID 102692027

IUPAC1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
SMILESO=S(=O)(c1ccn[nH]1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C13H17N5O2S/c19-21(20,13-3-6-15-16-13)18-9-7-17(8-10-18)11-12-1-4-14-5-2-12/h1-6H,7-11H2,(H,15,16)
InChIKeyVUJZQXVHIWTUOT-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.31
Rot. Bonds4

About 1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine

1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 102692027) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
PubChem CID102692027
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
SMILESO=S(=O)(c1ccn[nH]1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C13H17N5O2S/c19-21(20,13-3-6-15-16-13)18-9-7-17(8-10-18)11-12-1-4-14-5-2-12/h1-6H,7-11H2,(H,15,16)
InChIKeyVUJZQXVHIWTUOT-UHFFFAOYSA-N
XLogP0.31
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide
CID 102691203
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide
CID 102692272
1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 17461113
1-(3-bromophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 29352331
1-(4-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691515
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylacetic acid
CID 60948108
1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 113074210
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 29352357
1-(4-chlorobutylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 116815226
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 110709179
1-(3-chloro-2-methylpropyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 79556528

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine (CID 102692027) is 1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine is O=S(=O)(c1ccn[nH]1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is VUJZQXVHIWTUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-21(20,13-3-6-15-16-13)18-9-7-17(8-10-18)11-12-1-4-14-5-2-12/h1-6H,7-11H2,(H,15,16).
What are the key properties of 1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine?
1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 307.38 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 102692027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).