1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea

C22H24N4O2 — CID 118715808

IUPAC1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-13-11-17(12-14-19)23-22(27)24-21-15-20(16-7-5-6-8-16)25-26(21)18-9-3-2-4-10-18/h2-4,9-16H,5-8H2,1H3,(H2,23,24,27)
InChIKeyQMLBTRANMVSOKI-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.18
Rot. Bonds5

About 1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea

1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea (PubChem CID 118715808) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea
PubChem CID118715808
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-13-11-17(12-14-19)23-22(27)24-21-15-20(16-7-5-6-8-16)25-26(21)18-9-3-2-4-10-18/h2-4,9-16H,5-8H2,1H3,(H2,23,24,27)
InChIKeyQMLBTRANMVSOKI-UHFFFAOYSA-N
XLogP5.18
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea (CID 118715808) is 1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc1.
What is the InChIKey of 1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is QMLBTRANMVSOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-19-13-11-17(12-14-19)23-22(27)24-21-15-20(16-7-5-6-8-16)25-26(21)18-9-3-2-4-10-18/h2-4,9-16H,5-8H2,1H3,(H2,23,24,27).
What are the key properties of 1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea?
1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 376.46 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 118715808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).