1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea

C15H18Cl2N4O — CID 17297927

IUPAC1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea
SMILESCc1nn(CCCNC(=O)Nc2cccc(Cl)c2)c(C)c1Cl
InChIInChI=1S/C15H18Cl2N4O/c1-10-14(17)11(2)21(20-10)8-4-7-18-15(22)19-13-6-3-5-12(16)9-13/h3,5-6,9H,4,7-8H2,1-2H3,(H2,18,19,22)
InChIKeyIHXYZLKFRICSIC-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.02
Rot. Bonds5

About 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea

1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea (PubChem CID 17297927) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea
PubChem CID17297927
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea
SMILESCc1nn(CCCNC(=O)Nc2cccc(Cl)c2)c(C)c1Cl
InChIInChI=1S/C15H18Cl2N4O/c1-10-14(17)11(2)21(20-10)8-4-7-18-15(22)19-13-6-3-5-12(16)9-13/h3,5-6,9H,4,7-8H2,1-2H3,(H2,18,19,22)
InChIKeyIHXYZLKFRICSIC-UHFFFAOYSA-N
XLogP4.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-undecylurea
CID 4294975
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzamide
CID 19295543
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19334156
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19295430
1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(2-chlorophenyl)urea
CID 40722863
1-(3-chlorophenyl)-3-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]urea
CID 19283635
1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 35284622
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19295429
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-pyridin-3-ylacetamide
CID 91778395

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea (CID 17297927) is 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea is Cc1nn(CCCNC(=O)Nc2cccc(Cl)c2)c(C)c1Cl.
What is the InChIKey of 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea?
The InChIKey is IHXYZLKFRICSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-10-14(17)11(2)21(20-10)8-4-7-18-15(22)19-13-6-3-5-12(16)9-13/h3,5-6,9H,4,7-8H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea?
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea has a molecular weight of 341.24 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 17297927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).