1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea

C19H22N4O2 — CID 111578697

IUPAC1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea
SMILESCC(C)n1cc2cc(NC(=O)N[C@H](CO)c3ccccc3)ccc2n1
InChIInChI=1S/C19H22N4O2/c1-13(2)23-11-15-10-16(8-9-17(15)22-23)20-19(25)21-18(12-24)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3,(H2,20,21,25)/t18-/m1/s1
InChIKeyKZJBYCSLBRLQMT-GOSISDBHSA-N
MW338.41 g/mol
LogP3.47
Rot. Bonds5

About 1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea

1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea (PubChem CID 111578697) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea
PubChem CID111578697
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea
SMILESCC(C)n1cc2cc(NC(=O)N[C@H](CO)c3ccccc3)ccc2n1
InChIInChI=1S/C19H22N4O2/c1-13(2)23-11-15-10-16(8-9-17(15)22-23)20-19(25)21-18(12-24)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3,(H2,20,21,25)/t18-/m1/s1
InChIKeyKZJBYCSLBRLQMT-GOSISDBHSA-N
XLogP3.47
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 56593240
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751
1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea
CID 84599294
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
CID 96562726
1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103703
N-[2-oxo-2-[(2-propan-2-ylindazol-6-yl)amino]ethyl]benzamide
CID 71874535
1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea
CID 111618107
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea?
The IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea (CID 111578697) is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea.
What is the SMILES notation for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea?
The canonical SMILES for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea is CC(C)n1cc2cc(NC(=O)N[C@H](CO)c3ccccc3)ccc2n1.
What is the InChIKey of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea?
The InChIKey is KZJBYCSLBRLQMT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)23-11-15-10-16(8-9-17(15)22-23)20-19(25)21-18(12-24)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3,(H2,20,21,25)/t18-/m1/s1.
What are the key properties of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea?
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea has a molecular weight of 338.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-propan-2-ylindazol-5-yl)urea is sourced from PubChem (CID 111578697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).