N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide

C17H14Cl2N4OS — CID 55496936

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ncccc1Cl)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C17H14Cl2N4OS/c18-13-5-2-1-4-12(13)10-23-15(7-9-21-23)22-16(24)11-25-17-14(19)6-3-8-20-17/h1-9H,10-11H2,(H,22,24)
InChIKeyNEZMRKWBHODICE-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.36
Rot. Bonds6

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 55496936) has the molecular formula C17H14Cl2N4OS and a molecular weight of 393.30 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
PubChem CID55496936
Molecular FormulaC17H14Cl2N4OS
Molecular Weight393.30 g/mol
Exact Mass392.03
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ncccc1Cl)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C17H14Cl2N4OS/c18-13-5-2-1-4-12(13)10-23-15(7-9-21-23)22-16(24)11-25-17-14(19)6-3-8-20-17/h1-9H,10-11H2,(H,22,24)
InChIKeyNEZMRKWBHODICE-UHFFFAOYSA-N
XLogP4.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 8006135
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methylphenyl)sulfanylacetamide
CID 52772463
2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 52542142
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide
CID 30397973
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide
CID 52759135
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 78828271
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 36804243
N-[3-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630834
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide
CID 36562769
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 51319436

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide (CID 55496936) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ncccc1Cl)Nc1ccnn1Cc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is NEZMRKWBHODICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4OS/c18-13-5-2-1-4-12(13)10-23-15(7-9-21-23)22-16(24)11-25-17-14(19)6-3-8-20-17/h1-9H,10-11H2,(H,22,24).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 393.30 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 55496936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).