1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea

C20H18Cl2N4O — CID 70789138

IUPAC1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
SMILESCC1CC1c1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C20H18Cl2N4O/c1-12-7-17(12)18-11-19(26(25-18)16-5-3-2-4-6-16)24-20(27)23-15-9-13(21)8-14(22)10-15/h2-6,8-12,17H,7H2,1H3,(H2,23,24,27)
InChIKeyOLEASAGSRSJOEX-UHFFFAOYSA-N
MW401.30 g/mol
LogP5.95
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea

1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea (PubChem CID 70789138) has the molecular formula C20H18Cl2N4O and a molecular weight of 401.30 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
PubChem CID70789138
Molecular FormulaC20H18Cl2N4O
Molecular Weight401.30 g/mol
Exact Mass400.09
IUPAC Name1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
SMILESCC1CC1c1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C20H18Cl2N4O/c1-12-7-17(12)18-11-19(26(25-18)16-5-3-2-4-6-16)24-20(27)23-15-9-13(21)8-14(22)10-15/h2-6,8-12,17H,7H2,1H3,(H2,23,24,27)
InChIKeyOLEASAGSRSJOEX-UHFFFAOYSA-N
XLogP5.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.30
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea (CID 70789138) is 1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea is CC1CC1c1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The InChIKey is OLEASAGSRSJOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O/c1-12-7-17(12)18-11-19(26(25-18)16-5-3-2-4-6-16)24-20(27)23-15-9-13(21)8-14(22)10-15/h2-6,8-12,17H,7H2,1H3,(H2,23,24,27).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 401.30 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 70789138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).