1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea

C13H16N4O3 — CID 94174229

IUPAC1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
SMILESCOc1ccc([C@H](O)CNC(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O3/c1-20-11-4-2-9(3-5-11)12(18)8-14-13(19)17-10-6-15-16-7-10/h2-7,12,18H,8H2,1H3,(H,15,16)(H2,14,17,19)/t12-/m1/s1
InChIKeyMVCQPFLAPIXRDQ-GFCCVEGCSA-N
MW276.30 g/mol
LogP1.27
Rot. Bonds5

About 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea

1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 94174229) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID94174229
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
SMILESCOc1ccc([C@H](O)CNC(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O3/c1-20-11-4-2-9(3-5-11)12(18)8-14-13(19)17-10-6-15-16-7-10/h2-7,12,18H,8H2,1H3,(H,15,16)(H2,14,17,19)/t12-/m1/s1
InChIKeyMVCQPFLAPIXRDQ-GFCCVEGCSA-N
XLogP1.27
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94773819
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162609
1-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)urea
CID 95130185
1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
CID 130991878
1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea
CID 166194501
2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94177078
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62877454
1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 97106081

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea (CID 94174229) is 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea is COc1ccc([C@H](O)CNC(=O)Nc2cn[nH]c2)cc1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is MVCQPFLAPIXRDQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-20-11-4-2-9(3-5-11)12(18)8-14-13(19)17-10-6-15-16-7-10/h2-7,12,18H,8H2,1H3,(H,15,16)(H2,14,17,19)/t12-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea?
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 276.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 94174229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).