1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea

C14H16BrClN4O — CID 19334044

IUPAC1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea
SMILESCc1nn(CCCNC(=O)Nc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C14H16BrClN4O/c1-10-13(15)9-20(19-10)8-2-7-17-14(21)18-12-5-3-11(16)4-6-12/h3-6,9H,2,7-8H2,1H3,(H2,17,18,21)
InChIKeyJCOUYESDJRMPJG-UHFFFAOYSA-N
MW371.67 g/mol
LogP3.82
Rot. Bonds5

About 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea

1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea (PubChem CID 19334044) has the molecular formula C14H16BrClN4O and a molecular weight of 371.67 g/mol. Its IUPAC name is 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea
PubChem CID19334044
Molecular FormulaC14H16BrClN4O
Molecular Weight371.67 g/mol
Exact Mass370.02
IUPAC Name1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea
SMILESCc1nn(CCCNC(=O)Nc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C14H16BrClN4O/c1-10-13(15)9-20(19-10)8-2-7-17-14(21)18-12-5-3-11(16)4-6-12/h3-6,9H,2,7-8H2,1H3,(H2,17,18,21)
InChIKeyJCOUYESDJRMPJG-UHFFFAOYSA-N
XLogP3.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 53.82
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

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-chloroacetamide
CID 19329976
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide
CID 19329951
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 19329804
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 19329993
1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(3-methylphenyl)thiourea
CID 19573015
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19329963
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19516982
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266293
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylpyrazole-3-carboxamide
CID 19475447
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-iodobenzamide
CID 19328234
1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-butylurea
CID 19405684
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19329942

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea (CID 19334044) is 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea is Cc1nn(CCCNC(=O)Nc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea?
The InChIKey is JCOUYESDJRMPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4O/c1-10-13(15)9-20(19-10)8-2-7-17-14(21)18-12-5-3-11(16)4-6-12/h3-6,9H,2,7-8H2,1H3,(H2,17,18,21).
What are the key properties of 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea?
1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea has a molecular weight of 371.67 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 19334044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).