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

C18H23FN4O2 — CID 42962126

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
SMILESO=C(NCCc1ccc(F)cc1)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C18H23FN4O2/c19-14-6-4-13(5-7-14)8-9-20-18(25)22-16-2-1-3-17-15(16)12-21-23(17)10-11-24/h4-7,12,16,24H,1-3,8-11H2,(H2,20,22,25)
InChIKeyPEKSANYGIKQRIC-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.93
Rot. Bonds6

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

1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea (PubChem CID 42962126) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
PubChem CID42962126
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
SMILESO=C(NCCc1ccc(F)cc1)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C18H23FN4O2/c19-14-6-4-13(5-7-14)8-9-20-18(25)22-16-2-1-3-17-15(16)12-21-23(17)10-11-24/h4-7,12,16,24H,1-3,8-11H2,(H2,20,22,25)
InChIKeyPEKSANYGIKQRIC-UHFFFAOYSA-N
XLogP1.93
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 95134910
1-[(5-ethylthiophen-2-yl)methyl]-3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 95133900
(2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide
CID 61156494
(2R)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-2-carboxamide
CID 104912794
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
3-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-[(4-hydroxyphenyl)methyl]-1-methylurea
CID 95134395
2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide
CID 63005680
1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea
CID 97319979
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea (CID 42962126) is 1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea is O=C(NCCc1ccc(F)cc1)NC1CCCc2c1cnn2CCO.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea?
The InChIKey is PEKSANYGIKQRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c19-14-6-4-13(5-7-14)8-9-20-18(25)22-16-2-1-3-17-15(16)12-21-23(17)10-11-24/h4-7,12,16,24H,1-3,8-11H2,(H2,20,22,25).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea has a molecular weight of 346.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea is sourced from PubChem (CID 42962126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).