N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C12H19ClN4O3S — CID 19283583

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCn2cc(Cl)cn2)CC1
InChIInChI=1S/C12H19ClN4O3S/c1-21(19,20)17-5-2-10(3-6-17)12(18)14-4-7-16-9-11(13)8-15-16/h8-10H,2-7H2,1H3,(H,14,18)
InChIKeyHPCIQLVOLZHBRI-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.32
Rot. Bonds5

About N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19283583) has the molecular formula C12H19ClN4O3S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19283583
Molecular FormulaC12H19ClN4O3S
Molecular Weight334.83 g/mol
Exact Mass334.09
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCn2cc(Cl)cn2)CC1
InChIInChI=1S/C12H19ClN4O3S/c1-21(19,20)17-5-2-10(3-6-17)12(18)14-4-7-16-9-11(13)8-15-16/h8-10H,2-7H2,1H3,(H,14,18)
InChIKeyHPCIQLVOLZHBRI-UHFFFAOYSA-N
XLogP0.32
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 19582153
N-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 19584299
N-[3-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53566932
1-(2-amino-2-oxoethyl)-N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 70760807
1-(2-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-2-oxoethyl)-4-piperidinecarboxamide
CID 72893561
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-(cyclopropylcarbonyl)-4-piperidinecarboxamide
CID 72899748
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72933065
2-Amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 66898274
2-Amino-4-(4-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 66898275
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 17022628

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 19283583) is N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCn2cc(Cl)cn2)CC1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is HPCIQLVOLZHBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3S/c1-21(19,20)17-5-2-10(3-6-17)12(18)14-4-7-16-9-11(13)8-15-16/h8-10H,2-7H2,1H3,(H,14,18).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 334.83 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19283583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).