1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea

C17H24N4O2S — CID 95133900

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
SMILESCCc1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3CCO)s1
InChIInChI=1S/C17H24N4O2S/c1-2-12-6-7-13(24-12)10-18-17(23)20-15-4-3-5-16-14(15)11-19-21(16)8-9-22/h6-7,11,15,22H,2-5,8-10H2,1H3,(H2,18,20,23)/t15-/m1/s1
InChIKeyFOOXHEHVBKHHHS-OAHLLOKOSA-N
MW348.47 g/mol
LogP2.38
Rot. Bonds6

About 1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea

1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea (PubChem CID 95133900) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
PubChem CID95133900
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
SMILESCCc1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3CCO)s1
InChIInChI=1S/C17H24N4O2S/c1-2-12-6-7-13(24-12)10-18-17(23)20-15-4-3-5-16-14(15)11-19-21(16)8-9-22/h6-7,11,15,22H,2-5,8-10H2,1H3,(H2,18,20,23)/t15-/m1/s1
InChIKeyFOOXHEHVBKHHHS-OAHLLOKOSA-N
XLogP2.38
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea 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

1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 42962126
2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
1-[2-(cyclohexen-1-yl)ethyl]-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 95134910
1-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-3-ylurea
CID 94125968
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 63679207
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 62728115
4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
CID 79204522
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(prop-2-ynylamino)acetamide
CID 79286729
1-[(4-methoxyphenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 38884548
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide
CID 63139711
1-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97089859
3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-[(4-hydroxyphenyl)methyl]-1-methylurea
CID 95134395

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea (CID 95133900) is 1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea is CCc1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3CCO)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea?
The InChIKey is FOOXHEHVBKHHHS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-2-12-6-7-13(24-12)10-18-17(23)20-15-4-3-5-16-14(15)11-19-21(16)8-9-22/h6-7,11,15,22H,2-5,8-10H2,1H3,(H2,18,20,23)/t15-/m1/s1.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea?
1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea has a molecular weight of 348.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea is sourced from PubChem (CID 95133900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).