1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea

C14H10Cl2N4O2 — CID 2822409

IUPAC1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C14H10Cl2N4O2/c15-8-4-9(16)6-10(5-8)17-14(21)18-13-7-11(19-20-13)12-2-1-3-22-12/h1-7H,(H3,17,18,19,20,21)
InChIKeyHIRGGMMABDISOJ-UHFFFAOYSA-N
MW337.17 g/mol
LogP4.62
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea

1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea (PubChem CID 2822409) has the molecular formula C14H10Cl2N4O2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea
PubChem CID2822409
Molecular FormulaC14H10Cl2N4O2
Molecular Weight337.17 g/mol
Exact Mass336.02
IUPAC Name1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C14H10Cl2N4O2/c15-8-4-9(16)6-10(5-8)17-14(21)18-13-7-11(19-20-13)12-2-1-3-22-12/h1-7H,(H3,17,18,19,20,21)
InChIKeyHIRGGMMABDISOJ-UHFFFAOYSA-N
XLogP4.62
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-[5-(2-furyl)-1H-pyrazol-3-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 1488670
1-[5-(furan-2-yl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2822416
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 57523385
4-(2-Chloro-phenyl)-5-(5-furan-2-yl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol
CID 1840200
1-(4-chlorophenyl)-3-(furan-2-yl)-1H-pyrazol-5-amine
CID 43381275
4-chloro-N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)benzamide
CID 135955409
2-(4-chlorophenoxy)-N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135955416
N-(3-chlorobenzyl)-3-(furan-2-yl)-1H-pyrazol-5-amine
CID 71677585
1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea
CID 100767238
2-[5-amino-3-(2-furyl)-1H-pyrazol-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135984493
2-[5-amino-3-(furan-2-yl)-1H-pyrazol-1-yl]-6-methyl-3,4-dihydropyrimidin-4-one
CID 136816898
4-[C-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]-N-(2-chlorophenyl)carbonimidoyl]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]benzamide
CID 59631805

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea (CID 2822409) is 1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea?
The InChIKey is HIRGGMMABDISOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2/c15-8-4-9(16)6-10(5-8)17-14(21)18-13-7-11(19-20-13)12-2-1-3-22-12/h1-7H,(H3,17,18,19,20,21).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea?
1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea has a molecular weight of 337.17 g/mol, XLogP of 4.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea is sourced from PubChem (CID 2822409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).