1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea

C12H12Cl2N4O2 — CID 110911174

IUPAC1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(CCO)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N4O2/c13-8-1-2-10(14)11(5-8)17-12(20)16-9-6-15-18(7-9)3-4-19/h1-2,5-7,19H,3-4H2,(H2,16,17,20)
InChIKeyKLGQJNISCFMYLB-UHFFFAOYSA-N
MW315.16 g/mol
LogP2.83
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea

1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (PubChem CID 110911174) has the molecular formula C12H12Cl2N4O2 and a molecular weight of 315.16 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
PubChem CID110911174
Molecular FormulaC12H12Cl2N4O2
Molecular Weight315.16 g/mol
Exact Mass314.03
IUPAC Name1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(CCO)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N4O2/c13-8-1-2-10(14)11(5-8)17-12(20)16-9-6-15-18(7-9)3-4-19/h1-2,5-7,19H,3-4H2,(H2,16,17,20)
InChIKeyKLGQJNISCFMYLB-UHFFFAOYSA-N
XLogP2.83
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111475578
1-(3-bromo-4-methylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111691
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050
1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111104602
1-(2,5-dichlorophenyl)-3-[1-(methoxymethyl)pyrazol-4-yl]thiourea
CID 19445621
1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111694
methyl 2-[[4-[(2,5-dichlorophenyl)carbamothioylamino]pyrazol-1-yl]methyl]benzoate
CID 19344649
2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111104553
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (CID 110911174) is 1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is O=C(Nc1cnn(CCO)c1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The InChIKey is KLGQJNISCFMYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2/c13-8-1-2-10(14)11(5-8)17-12(20)16-9-6-15-18(7-9)3-4-19/h1-2,5-7,19H,3-4H2,(H2,16,17,20).
What are the key properties of 1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea has a molecular weight of 315.16 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 110911174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).