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

C10H11N5OS — CID 29412055

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nnc(C3CC3)s2)cn1
InChIInChI=1S/C10H11N5OS/c1-15-5-7(4-11-15)8(16)12-10-14-13-9(17-10)6-2-3-6/h4-6H,2-3H2,1H3,(H,12,14,16)
InChIKeyPWBUVWUWUYSUDG-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.40
Rot. Bonds3

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 29412055) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID29412055
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nnc(C3CC3)s2)cn1
InChIInChI=1S/C10H11N5OS/c1-15-5-7(4-11-15)8(16)12-10-14-13-9(17-10)6-2-3-6/h4-6H,2-3H2,1H3,(H,12,14,16)
InChIKeyPWBUVWUWUYSUDG-UHFFFAOYSA-N
XLogP1.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide (CID 29412055) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nnc(C3CC3)s2)cn1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is PWBUVWUWUYSUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-15-5-7(4-11-15)8(16)12-10-14-13-9(17-10)6-2-3-6/h4-6H,2-3H2,1H3,(H,12,14,16).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 29412055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).