1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea

C12H20Cl2N4O — CID 19334062

IUPAC1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea
SMILESCCCCNC(=O)NCCCn1nc(C)c(Cl)c1Cl
InChIInChI=1S/C12H20Cl2N4O/c1-3-4-6-15-12(19)16-7-5-8-18-11(14)10(13)9(2)17-18/h3-8H2,1-2H3,(H2,15,16,19)
InChIKeyLNYCUOSEWPWUGB-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.99
Rot. Bonds7

About 1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea

1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea (PubChem CID 19334062) has the molecular formula C12H20Cl2N4O and a molecular weight of 307.23 g/mol. Its IUPAC name is 1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea
PubChem CID19334062
Molecular FormulaC12H20Cl2N4O
Molecular Weight307.23 g/mol
Exact Mass306.10
IUPAC Name1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea
SMILESCCCCNC(=O)NCCCn1nc(C)c(Cl)c1Cl
InChIInChI=1S/C12H20Cl2N4O/c1-3-4-6-15-12(19)16-7-5-8-18-11(14)10(13)9(2)17-18/h3-8H2,1-2H3,(H2,15,16,19)
InChIKeyLNYCUOSEWPWUGB-UHFFFAOYSA-N
XLogP2.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]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

1-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-propylthiourea
CID 19573221
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332207
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263512
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide
CID 19525075
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506699
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513158
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557958
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]propanamide
CID 19541656
1-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea
CID 19573251
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
CID 19332159
2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19332081

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea?
The IUPAC name of 1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea (CID 19334062) is 1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea.
What is the SMILES notation for 1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea?
The canonical SMILES for 1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea is CCCCNC(=O)NCCCn1nc(C)c(Cl)c1Cl.
What is the InChIKey of 1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea?
The InChIKey is LNYCUOSEWPWUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl2N4O/c1-3-4-6-15-12(19)16-7-5-8-18-11(14)10(13)9(2)17-18/h3-8H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea?
1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea has a molecular weight of 307.23 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea is sourced from PubChem (CID 19334062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).