1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea

C14H18N4O3 — CID 94177078

IUPAC1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCOc1ccc([C@@H](O)CNC(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C14H18N4O3/c1-21-12-4-2-10(3-5-12)13(19)9-16-14(20)15-8-11-6-7-17-18-11/h2-7,13,19H,8-9H2,1H3,(H,17,18)(H2,15,16,20)/t13-/m0/s1
InChIKeyJMAQYKPDPIVXTQ-ZDUSSCGKSA-N
MW290.32 g/mol
LogP0.95
Rot. Bonds6

About 1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 94177078) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID94177078
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCOc1ccc([C@@H](O)CNC(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C14H18N4O3/c1-21-12-4-2-10(3-5-12)13(19)9-16-14(20)15-8-11-6-7-17-18-11/h2-7,13,19H,8-9H2,1H3,(H,17,18)(H2,15,16,20)/t13-/m0/s1
InChIKeyJMAQYKPDPIVXTQ-ZDUSSCGKSA-N
XLogP0.95
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 97076664
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 71893121
1-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 111454611
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94174229
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 81370559
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 110893691
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477462
1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 111102262
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084955
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea
CID 94030672

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 94177078) is 1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea is COc1ccc([C@@H](O)CNC(=O)NCc2ccn[nH]2)cc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is JMAQYKPDPIVXTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-21-12-4-2-10(3-5-12)13(19)9-16-14(20)15-8-11-6-7-17-18-11/h2-7,13,19H,8-9H2,1H3,(H,17,18)(H2,15,16,20)/t13-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 290.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 94177078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).