1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea

C17H22N4O2 — CID 39854121

IUPAC1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(C)nn2C2CCCC2)c1
InChIInChI=1S/C17H22N4O2/c1-12-10-16(21(20-12)14-7-3-4-8-14)19-17(22)18-13-6-5-9-15(11-13)23-2/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H2,18,19,22)
InChIKeySWCKLSIMOFZNEO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.96
Rot. Bonds4

About 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea

1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea (PubChem CID 39854121) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea
PubChem CID39854121
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(C)nn2C2CCCC2)c1
InChIInChI=1S/C17H22N4O2/c1-12-10-16(21(20-12)14-7-3-4-8-14)19-17(22)18-13-6-5-9-15(11-13)23-2/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H2,18,19,22)
InChIKeySWCKLSIMOFZNEO-UHFFFAOYSA-N
XLogP3.96
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea (CID 39854121) is 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cc(C)nn2C2CCCC2)c1.
What is the InChIKey of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea?
The InChIKey is SWCKLSIMOFZNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-10-16(21(20-12)14-7-3-4-8-14)19-17(22)18-13-6-5-9-15(11-13)23-2/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea?
1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea has a molecular weight of 314.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 39854121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).