1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea

C17H20N6O2 — CID 86804008

IUPAC1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
SMILESCOCCn1ccc(NC(=O)Nc2ccccc2-n2nccc2C)n1
InChIInChI=1S/C17H20N6O2/c1-13-7-9-18-23(13)15-6-4-3-5-14(15)19-17(24)20-16-8-10-22(21-16)11-12-25-2/h3-10H,11-12H2,1-2H3,(H2,19,20,21,24)
InChIKeyIZJICWPMAWQJCH-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.67
Rot. Bonds6

About 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea

1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea (PubChem CID 86804008) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
PubChem CID86804008
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
SMILESCOCCn1ccc(NC(=O)Nc2ccccc2-n2nccc2C)n1
InChIInChI=1S/C17H20N6O2/c1-13-7-9-18-23(13)15-6-4-3-5-14(15)19-17(24)20-16-8-10-22(21-16)11-12-25-2/h3-10H,11-12H2,1-2H3,(H2,19,20,21,24)
InChIKeyIZJICWPMAWQJCH-UHFFFAOYSA-N
XLogP2.67
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea (CID 86804008) is 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea is COCCn1ccc(NC(=O)Nc2ccccc2-n2nccc2C)n1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea?
The InChIKey is IZJICWPMAWQJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-13-7-9-18-23(13)15-6-4-3-5-14(15)19-17(24)20-16-8-10-22(21-16)11-12-25-2/h3-10H,11-12H2,1-2H3,(H2,19,20,21,24).
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea?
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea has a molecular weight of 340.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea is sourced from PubChem (CID 86804008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).