5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide

C7H12N4O2S — CID 11401662

IUPAC5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(CCO)c(N)c1C(N)=O
InChIInChI=1S/C7H12N4O2S/c1-14-7-4(6(9)13)5(8)11(10-7)2-3-12/h12H,2-3,8H2,1H3,(H2,9,13)
InChIKeyHTWNNCUINPSJJJ-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.72
Rot. Bonds4

About 5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide

5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide (PubChem CID 11401662) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide
PubChem CID11401662
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(CCO)c(N)c1C(N)=O
InChIInChI=1S/C7H12N4O2S/c1-14-7-4(6(9)13)5(8)11(10-7)2-3-12/h12H,2-3,8H2,1H3,(H2,9,13)
InChIKeyHTWNNCUINPSJJJ-UHFFFAOYSA-N
XLogP-0.72
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-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

5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide
CID 45116772
2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol
CID 165499650
methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
CID 102808136
5-amino-1-decyl-3-methylpyrazole-4-carboxamide
CID 21266075
5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide
CID 11347652
2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol
CID 10197801
2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane
CID 177341984
2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 165499656
5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)-3-methylsulfanylpyrazole-4-carboxamide
CID 171989035
5-amino-1-(2-hydroxyethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 147719984
4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide
CID 20850092
2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol
CID 66769968

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide (CID 11401662) is 5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide is CSc1nn(CCO)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide?
The InChIKey is HTWNNCUINPSJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-14-7-4(6(9)13)5(8)11(10-7)2-3-12/h12H,2-3,8H2,1H3,(H2,9,13).
What are the key properties of 5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide?
5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide has a molecular weight of 216.27 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide is sourced from PubChem (CID 11401662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).