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

C13H14Cl2N4O2 — CID 75441308

IUPAC1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1ccn(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N4O2/c14-9-2-3-11(10(15)8-9)19-6-4-12(18-19)17-13(21)16-5-1-7-20/h2-4,6,8,20H,1,5,7H2,(H2,16,17,18,21)
InChIKeyHFQXDVXVHXRNFN-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.68
Rot. Bonds5

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

1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea (PubChem CID 75441308) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea
PubChem CID75441308
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC Name1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1ccn(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N4O2/c14-9-2-3-11(10(15)8-9)19-6-4-12(18-19)17-13(21)16-5-1-7-20/h2-4,6,8,20H,1,5,7H2,(H2,16,17,18,21)
InChIKeyHFQXDVXVHXRNFN-UHFFFAOYSA-N
XLogP2.68
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
N-[2-(4-chlorophenyl)pyrazol-3-yl]-3-ethoxypropanamide
CID 72118219
1-[1-(2,4-Dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75447230
1-[1-(3-Chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75483645
(2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid
CID 164637700
N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide
CID 14517407
N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]propanamide
CID 14517410
N-[1-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide
CID 21616474
N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide
CID 174569313
3-[3-[(2-Chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide
CID 75524673

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea (CID 75441308) is 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea is O=C(NCCCO)Nc1ccn(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea?
The InChIKey is HFQXDVXVHXRNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c14-9-2-3-11(10(15)8-9)19-6-4-12(18-19)17-13(21)16-5-1-7-20/h2-4,6,8,20H,1,5,7H2,(H2,16,17,18,21).
What are the key properties of 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea?
1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea has a molecular weight of 329.19 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 75441308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).