1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea

C15H19ClN4O4 — CID 166231091

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCOc1cc(OC)c(NC(=O)NCC(O)c2cnn(C)c2)cc1Cl
InChIInChI=1S/C15H19ClN4O4/c1-20-8-9(6-18-20)12(21)7-17-15(22)19-11-4-10(16)13(23-2)5-14(11)24-3/h4-6,8,12,21H,7H2,1-3H3,(H2,17,19,22)
InChIKeyGSHIKNMTEFNHHY-UHFFFAOYSA-N
MW354.79 g/mol
LogP1.95
Rot. Bonds6

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea

1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 166231091) has the molecular formula C15H19ClN4O4 and a molecular weight of 354.79 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID166231091
Molecular FormulaC15H19ClN4O4
Molecular Weight354.79 g/mol
Exact Mass354.11
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCOc1cc(OC)c(NC(=O)NCC(O)c2cnn(C)c2)cc1Cl
InChIInChI=1S/C15H19ClN4O4/c1-20-8-9(6-18-20)12(21)7-17-15(22)19-11-4-10(16)13(23-2)5-14(11)24-3/h4-6,8,12,21H,7H2,1-3H3,(H2,17,19,22)
InChIKeyGSHIKNMTEFNHHY-UHFFFAOYSA-N
XLogP1.95
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]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

(2S)-3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107837958
5-chloro-2,4-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600349
1-[(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-3-(4-nitrophenyl)urea
CID 95783435
(3R,4S)-N-(5-chloro-2,4-dimethoxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918124
1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147188
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea
CID 95782860
1-(2-chlorophenyl)-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99903212
1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea
CID 3497619
1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea
CID 110676079
1-(4,5-dichloro-2-methoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 99833219
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 126832926
2-[(3-chloro-5-nitro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323518

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea (CID 166231091) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea is COc1cc(OC)c(NC(=O)NCC(O)c2cnn(C)c2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is GSHIKNMTEFNHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O4/c1-20-8-9(6-18-20)12(21)7-17-15(22)19-11-4-10(16)13(23-2)5-14(11)24-3/h4-6,8,12,21H,7H2,1-3H3,(H2,17,19,22).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 354.79 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 166231091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).