1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea

C17H21FN4O2 — CID 97319979

IUPAC1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea
SMILESCN(C(=O)N[C@H]1CCCc2c1cnn2CCO)c1ccccc1F
InChIInChI=1S/C17H21FN4O2/c1-21(16-7-3-2-5-13(16)18)17(24)20-14-6-4-8-15-12(14)11-19-22(15)9-10-23/h2-3,5,7,11,14,23H,4,6,8-10H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyCFSNJQRQOSHVET-AWEZNQCLSA-N
MW332.38 g/mol
LogP2.24
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea

1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea (PubChem CID 97319979) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea
PubChem CID97319979
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea
SMILESCN(C(=O)N[C@H]1CCCc2c1cnn2CCO)c1ccccc1F
InChIInChI=1S/C17H21FN4O2/c1-21(16-7-3-2-5-13(16)18)17(24)20-14-6-4-8-15-12(14)11-19-22(15)9-10-23/h2-3,5,7,11,14,23H,4,6,8-10H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyCFSNJQRQOSHVET-AWEZNQCLSA-N
XLogP2.24
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea with MolForge

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Related Compounds

3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-[(4-hydroxyphenyl)methyl]-1-methylurea
CID 95134395
3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 95134232
2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 62728115
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 63679207
4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
CID 79204522
1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 42962126
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(prop-2-ynylamino)acetamide
CID 79286729
1-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-3-ylurea
CID 94125968
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide
CID 63139711
2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752523
(2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide
CID 61156494

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea (CID 97319979) is 1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea is CN(C(=O)N[C@H]1CCCc2c1cnn2CCO)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea?
The InChIKey is CFSNJQRQOSHVET-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-21(16-7-3-2-5-13(16)18)17(24)20-14-6-4-8-15-12(14)11-19-22(15)9-10-23/h2-3,5,7,11,14,23H,4,6,8-10H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea?
1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea has a molecular weight of 332.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea is sourced from PubChem (CID 97319979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).