N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide

C13H10ClN5OS — CID 51090020

IUPACN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cnns1
InChIInChI=1S/C13H10ClN5OS/c14-10-3-1-2-9(6-10)8-19-12(4-5-16-19)17-13(20)11-7-15-18-21-11/h1-7H,8H2,(H,17,20)
InChIKeyLCOPPJXTDISOHM-UHFFFAOYSA-N
MW319.78 g/mol
LogP2.69
Rot. Bonds4

About N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide (PubChem CID 51090020) has the molecular formula C13H10ClN5OS and a molecular weight of 319.78 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide
PubChem CID51090020
Molecular FormulaC13H10ClN5OS
Molecular Weight319.78 g/mol
Exact Mass319.03
IUPAC NameN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cnns1
InChIInChI=1S/C13H10ClN5OS/c14-10-3-1-2-9(6-10)8-19-12(4-5-16-19)17-13(20)11-7-15-18-21-11/h1-7H,8H2,(H,17,20)
InChIKeyLCOPPJXTDISOHM-UHFFFAOYSA-N
XLogP2.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 75472314
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
(E)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 17482295
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 18127266
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 17464978
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137864
(2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 100627057
(3R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41131391
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(4-cyanophenyl)methylsulfanyl]acetamide
CID 71941114

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide (CID 51090020) is N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide is O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cnns1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide?
The InChIKey is LCOPPJXTDISOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5OS/c14-10-3-1-2-9(6-10)8-19-12(4-5-16-19)17-13(20)11-7-15-18-21-11/h1-7H,8H2,(H,17,20).
What are the key properties of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide?
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide has a molecular weight of 319.78 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 51090020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).