4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide

C10H10ClN5OS — CID 6470312

IUPAC4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C10H10ClN5OS/c1-16-7(6(11)4-12-16)8(17)13-10-15-14-9(18-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,13,15,17)
InChIKeyLUNFUYBGEKBARR-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.05
Rot. Bonds3

About 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide

4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 6470312) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID6470312
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC Name4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C10H10ClN5OS/c1-16-7(6(11)4-12-16)8(17)13-10-15-14-9(18-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,13,15,17)
InChIKeyLUNFUYBGEKBARR-UHFFFAOYSA-N
XLogP2.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide (CID 6470312) is 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is LUNFUYBGEKBARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c1-16-7(6(11)4-12-16)8(17)13-10-15-14-9(18-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,13,15,17).
What are the key properties of 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 283.74 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 6470312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).