1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide

C18H18ClN5OS — CID 2089062

IUPAC1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H18ClN5OS/c1-10-15(16(25)20-18-22-21-17(26-18)12-7-8-12)11(2)24(23-10)9-13-5-3-4-6-14(13)19/h3-6,12H,7-9H2,1-2H3,(H,20,22,25)
InChIKeyNLHJENVWIWZJLA-UHFFFAOYSA-N
MW387.90 g/mol
LogP4.18
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 2089062) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID2089062
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H18ClN5OS/c1-10-15(16(25)20-18-22-21-17(26-18)12-7-8-12)11(2)24(23-10)9-13-5-3-4-6-14(13)19/h3-6,12H,7-9H2,1-2H3,(H,20,22,25)
InChIKeyNLHJENVWIWZJLA-UHFFFAOYSA-N
XLogP4.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide (CID 2089062) is 1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is NLHJENVWIWZJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c1-10-15(16(25)20-18-22-21-17(26-18)12-7-8-12)11(2)24(23-10)9-13-5-3-4-6-14(13)19/h3-6,12H,7-9H2,1-2H3,(H,20,22,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 387.90 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 2089062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).