N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide

C11H8Cl3N3OS — CID 22073374

IUPACN-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide
SMILESCn1nc(Cl)c(NC=O)c1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl3N3OS/c1-17-11(9(15-5-18)10(14)16-17)19-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H,15,18)
InChIKeyMOOQCHSWCJCJHV-UHFFFAOYSA-N
MW336.63 g/mol
LogP4.10
Rot. Bonds4

About N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide

N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide (PubChem CID 22073374) has the molecular formula C11H8Cl3N3OS and a molecular weight of 336.63 g/mol. Its IUPAC name is N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide
PubChem CID22073374
Molecular FormulaC11H8Cl3N3OS
Molecular Weight336.63 g/mol
Exact Mass334.95
IUPAC NameN-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide
SMILESCn1nc(Cl)c(NC=O)c1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl3N3OS/c1-17-11(9(15-5-18)10(14)16-17)19-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H,15,18)
InChIKeyMOOQCHSWCJCJHV-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.63
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 22073363
CID 22073363
CID 22073364
CID 22073364
CID 22073365
CID 22073365
CID 22073377
CID 22073377
CID 43554505
CID 43554505
CID 43554517
CID 43554517

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide?
The IUPAC name of N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide (CID 22073374) is N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide.
What is the SMILES notation for N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide?
The canonical SMILES for N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide is Cn1nc(Cl)c(NC=O)c1Sc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide?
The InChIKey is MOOQCHSWCJCJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3OS/c1-17-11(9(15-5-18)10(14)16-17)19-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H,15,18).
What are the key properties of N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide?
N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide has a molecular weight of 336.63 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-yl]formamide is sourced from PubChem (CID 22073374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).