4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide

C11H14N4O2S — CID 114188442

IUPAC4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C11H14N4O2S/c1-15-10(8(12)4-14-15)11(17)13-5-9(16)7-2-3-18-6-7/h2-4,6,9,16H,5,12H2,1H3,(H,13,17)
InChIKeyAHYQHBTWJCUWTL-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.53
Rot. Bonds4

About 4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide

4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 114188442) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide
PubChem CID114188442
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C11H14N4O2S/c1-15-10(8(12)4-14-15)11(17)13-5-9(16)7-2-3-18-6-7/h2-4,6,9,16H,5,12H2,1H3,(H,13,17)
InChIKeyAHYQHBTWJCUWTL-UHFFFAOYSA-N
XLogP0.53
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
CID 65359621
4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide
CID 65359620
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
CID 70115769
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 103686497
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide
CID 111441647
4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 106379173
1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide
CID 111441768

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide (CID 114188442) is 4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)NCC(O)c1ccsc1.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is AHYQHBTWJCUWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15-10(8(12)4-14-15)11(17)13-5-9(16)7-2-3-18-6-7/h2-4,6,9,16H,5,12H2,1H3,(H,13,17).
What are the key properties of 4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 114188442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).