1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea

C17H24N4O3 — CID 95282305

IUPAC1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
SMILESCOC[C@@H](C)NC(=O)Nc1cc(-c2ccccc2C)nn1CCO
InChIInChI=1S/C17H24N4O3/c1-12-6-4-5-7-14(12)15-10-16(21(20-15)8-9-22)19-17(23)18-13(2)11-24-3/h4-7,10,13,22H,8-9,11H2,1-3H3,(H2,18,19,23)/t13-/m1/s1
InChIKeyVKZKXTLFYHRSKO-CYBMUJFWSA-N
MW332.40 g/mol
LogP2.01
Rot. Bonds7

About 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea

1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea (PubChem CID 95282305) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
PubChem CID95282305
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
SMILESCOC[C@@H](C)NC(=O)Nc1cc(-c2ccccc2C)nn1CCO
InChIInChI=1S/C17H24N4O3/c1-12-6-4-5-7-14(12)15-10-16(21(20-15)8-9-22)19-17(23)18-13(2)11-24-3/h4-7,10,13,22H,8-9,11H2,1-3H3,(H2,18,19,23)/t13-/m1/s1
InChIKeyVKZKXTLFYHRSKO-CYBMUJFWSA-N
XLogP2.01
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 52875986
1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 47090473
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide
CID 110004021
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]pent-4-enamide
CID 110928314
(1S,6S)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775066
(2S)-2-methoxy-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
CID 96521758
(2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide
CID 97007846
N-[(2S)-1-methoxypropan-2-yl]-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7897708
2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol
CID 110924537
(2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
CID 120606517
3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
CID 119813507
2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]-6-methylpyridin-3-ol
CID 110935658

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The IUPAC name of 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea (CID 95282305) is 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The canonical SMILES for 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea is COC[C@@H](C)NC(=O)Nc1cc(-c2ccccc2C)nn1CCO.
What is the InChIKey of 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The InChIKey is VKZKXTLFYHRSKO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-6-4-5-7-14(12)15-10-16(21(20-15)8-9-22)19-17(23)18-13(2)11-24-3/h4-7,10,13,22H,8-9,11H2,1-3H3,(H2,18,19,23)/t13-/m1/s1.
What are the key properties of 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea?
1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea has a molecular weight of 332.40 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea is sourced from PubChem (CID 95282305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).