3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide

C14H15Cl2N3OS — CID 19931871

IUPAC3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3OS/c1-3-18(4-2)14(20)19-8-7-13(17-19)21-12-9-10(15)5-6-11(12)16/h5-9H,3-4H2,1-2H3
InChIKeyYVBABXTUJCHEDP-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.65
Rot. Bonds4

About 3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide

3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide (PubChem CID 19931871) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide
PubChem CID19931871
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1ccc(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3OS/c1-3-18(4-2)14(20)19-8-7-13(17-19)21-12-9-10(15)5-6-11(12)16/h5-9H,3-4H2,1-2H3
InChIKeyYVBABXTUJCHEDP-UHFFFAOYSA-N
XLogP4.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide (CID 19931871) is 3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide is CCN(CC)C(=O)n1ccc(Sc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide?
The InChIKey is YVBABXTUJCHEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c1-3-18(4-2)14(20)19-8-7-13(17-19)21-12-9-10(15)5-6-11(12)16/h5-9H,3-4H2,1-2H3.
What are the key properties of 3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide?
3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide has a molecular weight of 344.27 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide is sourced from PubChem (CID 19931871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).