N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C16H23ClN6O3S — CID 17023296

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)C1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C16H23ClN6O3S/c1-3-23-15(14(17)8-20-23)9-18-16(24)12-5-4-6-22(10-12)27(25,26)13-7-19-21(2)11-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,24)
InChIKeyGYAWUGKHZXEBMH-UHFFFAOYSA-N
MW414.92 g/mol
LogP1.01
Rot. Bonds6

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 17023296) has the molecular formula C16H23ClN6O3S and a molecular weight of 414.92 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID17023296
Molecular FormulaC16H23ClN6O3S
Molecular Weight414.92 g/mol
Exact Mass414.12
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)C1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C16H23ClN6O3S/c1-3-23-15(14(17)8-20-23)9-18-16(24)12-5-4-6-22(10-12)27(25,26)13-7-19-21(2)11-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,24)
InChIKeyGYAWUGKHZXEBMH-UHFFFAOYSA-N
XLogP1.01
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 17023296) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is CCn1ncc(Cl)c1CNC(=O)C1CCCN(S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is GYAWUGKHZXEBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN6O3S/c1-3-23-15(14(17)8-20-23)9-18-16(24)12-5-4-6-22(10-12)27(25,26)13-7-19-21(2)11-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,24).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 414.92 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 17023296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).