4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide

C9H10N6OS — CID 107346642

IUPAC4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2nc(C3CC3)ns2)cc1N
InChIInChI=1S/C9H10N6OS/c10-5-3-15(13-6(5)7(11)16)9-12-8(14-17-9)4-1-2-4/h3-4H,1-2,10H2,(H2,11,16)
InChIKeyJFCDHUCZWVZRKK-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.28
Rot. Bonds3

About 4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide

4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide (PubChem CID 107346642) has the molecular formula C9H10N6OS and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide
PubChem CID107346642
Molecular FormulaC9H10N6OS
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Name4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2nc(C3CC3)ns2)cc1N
InChIInChI=1S/C9H10N6OS/c10-5-3-15(13-6(5)7(11)16)9-12-8(14-17-9)4-1-2-4/h3-4H,1-2,10H2,(H2,11,16)
InChIKeyJFCDHUCZWVZRKK-UHFFFAOYSA-N
XLogP0.28
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide (CID 107346642) is 4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide is NC(=O)c1nn(-c2nc(C3CC3)ns2)cc1N.
What is the InChIKey of 4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is JFCDHUCZWVZRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS/c10-5-3-15(13-6(5)7(11)16)9-12-8(14-17-9)4-1-2-4/h3-4H,1-2,10H2,(H2,11,16).
What are the key properties of 4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide?
4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 107346642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).