1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine

C18H29N5O2S — CID 91923935

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
SMILESCCCn1c(C)cnc1CC1CCN(S(=O)(=O)c2cnn(CC)c2)CC1
InChIInChI=1S/C18H29N5O2S/c1-4-8-23-15(3)12-19-18(23)11-16-6-9-22(10-7-16)26(24,25)17-13-20-21(5-2)14-17/h12-14,16H,4-11H2,1-3H3
InChIKeyANACZDCHRGFYJT-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.46
Rot. Bonds7

About 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine

1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine (PubChem CID 91923935) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
PubChem CID91923935
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
SMILESCCCn1c(C)cnc1CC1CCN(S(=O)(=O)c2cnn(CC)c2)CC1
InChIInChI=1S/C18H29N5O2S/c1-4-8-23-15(3)12-19-18(23)11-16-6-9-22(10-7-16)26(24,25)17-13-20-21(5-2)14-17/h12-14,16H,4-11H2,1-3H3
InChIKeyANACZDCHRGFYJT-UHFFFAOYSA-N
XLogP2.46
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine (CID 91923935) is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine is CCCn1c(C)cnc1CC1CCN(S(=O)(=O)c2cnn(CC)c2)CC1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
The InChIKey is ANACZDCHRGFYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-4-8-23-15(3)12-19-18(23)11-16-6-9-22(10-7-16)26(24,25)17-13-20-21(5-2)14-17/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine has a molecular weight of 379.53 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 91923935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).