(4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone

C10H14ClN3OS — CID 19579034

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCSCC1
InChIInChI=1S/C10H14ClN3OS/c1-2-14-9(8(11)7-12-14)10(15)13-3-5-16-6-4-13/h7H,2-6H2,1H3
InChIKeyCUBVMVGPLITTNQ-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.75
Rot. Bonds2

About (4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone

(4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone (PubChem CID 19579034) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone
PubChem CID19579034
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCSCC1
InChIInChI=1S/C10H14ClN3OS/c1-2-14-9(8(11)7-12-14)10(15)13-3-5-16-6-4-13/h7H,2-6H2,1H3
InChIKeyCUBVMVGPLITTNQ-UHFFFAOYSA-N
XLogP1.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
ethyl 4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinecarboxylate
CID 842664
4-Chloro-1-methylpyrazol-5-yl 2-methylpiperidyl ketone
CID 3569167
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
4-Chloropyrazol-3-yl 1,4-thiazaperhydroin-4-yl ketone
CID 19577724
4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19263348
N-(2-amino-1-methyl-2-oxoethyl)-4-chloro-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 56872976
4-chloro-1-cyclopentyl-N-(2-sulfanylethyl)pyrazole-5-carboxamide
CID 177679764
4-chloro-N,N-dicyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 4768055
4-chloro-1-methyl-N-[2-(piperidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 6469224

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone (CID 19579034) is (4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone is CCn1ncc(Cl)c1C(=O)N1CCSCC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is CUBVMVGPLITTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-2-14-9(8(11)7-12-14)10(15)13-3-5-16-6-4-13/h7H,2-6H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone?
(4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 259.76 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 19579034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).