N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide

C10H16ClN3OS — CID 86705854

IUPACN-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide
SMILESCCSC(C)C(=O)N(CC)c1cn[nH]c1Cl
InChIInChI=1S/C10H16ClN3OS/c1-4-14(8-6-12-13-9(8)11)10(15)7(3)16-5-2/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyOODSKKIKZGWHDB-UHFFFAOYSA-N
MW261.78 g/mol
LogP2.56
Rot. Bonds5

About N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide

N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide (PubChem CID 86705854) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide
PubChem CID86705854
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC NameN-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide
SMILESCCSC(C)C(=O)N(CC)c1cn[nH]c1Cl
InChIInChI=1S/C10H16ClN3OS/c1-4-14(8-6-12-13-9(8)11)10(15)7(3)16-5-2/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyOODSKKIKZGWHDB-UHFFFAOYSA-N
XLogP2.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide?
The IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide (CID 86705854) is N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide?
The canonical SMILES for N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide is CCSC(C)C(=O)N(CC)c1cn[nH]c1Cl.
What is the InChIKey of N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide?
The InChIKey is OODSKKIKZGWHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-4-14(8-6-12-13-9(8)11)10(15)7(3)16-5-2/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide?
N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide has a molecular weight of 261.78 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-ethylsulfanylpropanamide is sourced from PubChem (CID 86705854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).