3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea

C14H17ClN4O2 — CID 110929101

IUPAC3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C14H17ClN4O2/c1-2-18(8-9-20)14(21)17-11-4-5-13(12(15)10-11)19-7-3-6-16-19/h3-7,10,20H,2,8-9H2,1H3,(H,17,21)
InChIKeyWPEMYYVYAKXZLD-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.37
Rot. Bonds5

About 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea

3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 110929101) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID110929101
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C14H17ClN4O2/c1-2-18(8-9-20)14(21)17-11-4-5-13(12(15)10-11)19-7-3-6-16-19/h3-7,10,20H,2,8-9H2,1H3,(H,17,21)
InChIKeyWPEMYYVYAKXZLD-UHFFFAOYSA-N
XLogP2.37
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859229
2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide
CID 119771640
2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 119316621
1-butyl-3-(5-fluoro-2-pyrazol-1-ylphenyl)-1-(2-hydroxyethyl)urea
CID 111107528
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111474512
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 75451514
3-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]propanoic acid
CID 61194987
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119771638
3-(3-chloro-4-pyrazol-1-ylanilino)propane-1,2-diol
CID 168596526
3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 167979146

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea (CID 110929101) is 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is WPEMYYVYAKXZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-2-18(8-9-20)14(21)17-11-4-5-13(12(15)10-11)19-7-3-6-16-19/h3-7,10,20H,2,8-9H2,1H3,(H,17,21).
What are the key properties of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 308.77 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110929101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).