1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea

C23H28N4O4 — CID 122547251

IUPAC1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea
SMILESCOCc1ccc(C)c(CNC(=O)Nc2c(C)c(OCCO)nn2-c2ccccc2)c1
InChIInChI=1S/C23H28N4O4/c1-16-9-10-18(15-30-3)13-19(16)14-24-23(29)25-21-17(2)22(31-12-11-28)26-27(21)20-7-5-4-6-8-20/h4-10,13,28H,11-12,14-15H2,1-3H3,(H2,24,25,29)
InChIKeyHWWXEPVHURSOEN-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.33
Rot. Bonds9

About 1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea

1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea (PubChem CID 122547251) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea
PubChem CID122547251
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea
SMILESCOCc1ccc(C)c(CNC(=O)Nc2c(C)c(OCCO)nn2-c2ccccc2)c1
InChIInChI=1S/C23H28N4O4/c1-16-9-10-18(15-30-3)13-19(16)14-24-23(29)25-21-17(2)22(31-12-11-28)26-27(21)20-7-5-4-6-8-20/h4-10,13,28H,11-12,14-15H2,1-3H3,(H2,24,25,29)
InChIKeyHWWXEPVHURSOEN-UHFFFAOYSA-N
XLogP3.33
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2,3-dihydroxypropoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]urea
CID 122530460
1-[3-(3-aminocyclobutyl)oxy-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]urea
CID 90155861
1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-1-phenyl-3-(piperidin-3-ylmethoxy)pyrazol-5-yl]urea
CID 90156123
1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]urea;1-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]urea;1-[[5-(methoxymethyl)-2-methylphenyl]methyl]-3-[4-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea;1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 159992564
carbonyl difluoride;1-[[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]urea
CID 160659974
tert-butyl 4-[[5-[[2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methylcarbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxymethyl]piperidine-1-carboxylate
CID 90155970
tert-butyl 3-[5-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyazetidine-1-carboxylate
CID 90155834
1-[3-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]urea
CID 90165393
1-[3-[(3R,4R)-3-fluoropiperidin-4-yl]oxy-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]urea
CID 90155950
1-[3-[(2S)-2-hydroxy-3-methoxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-methylurea
CID 126548143
acetic acid;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 162314046
tert-butyl 3-fluoro-4-[5-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxypyrrolidine-1-carboxylate
CID 90156039

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea?
The IUPAC name of 1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea (CID 122547251) is 1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea.
What is the SMILES notation for 1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea?
The canonical SMILES for 1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea is COCc1ccc(C)c(CNC(=O)Nc2c(C)c(OCCO)nn2-c2ccccc2)c1.
What is the InChIKey of 1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea?
The InChIKey is HWWXEPVHURSOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16-9-10-18(15-30-3)13-19(16)14-24-23(29)25-21-17(2)22(31-12-11-28)26-27(21)20-7-5-4-6-8-20/h4-10,13,28H,11-12,14-15H2,1-3H3,(H2,24,25,29).
What are the key properties of 1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea?
1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea has a molecular weight of 424.50 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethoxy)-4-methyl-1-phenylpyrazol-5-yl]-3-[[5-(methoxymethyl)-2-methylphenyl]methyl]urea is sourced from PubChem (CID 122547251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).