1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea

C23H32ClN5O — CID 26320023

IUPAC1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(CCCC2CCCC2)CC1
InChIInChI=1S/C23H32ClN5O/c24-20-9-3-4-10-21(20)26-23(30)27-22-11-14-25-29(22)19-12-16-28(17-13-19)15-5-8-18-6-1-2-7-18/h3-4,9-11,14,18-19H,1-2,5-8,12-13,15-17H2,(H2,26,27,30)
InChIKeyLOHOOAVDZJTPRC-UHFFFAOYSA-N
MW430.00 g/mol
LogP5.79
Rot. Bonds7

About 1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea

1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 26320023) has the molecular formula C23H32ClN5O and a molecular weight of 430.00 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID26320023
Molecular FormulaC23H32ClN5O
Molecular Weight430.00 g/mol
Exact Mass429.23
IUPAC Name1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(CCCC2CCCC2)CC1
InChIInChI=1S/C23H32ClN5O/c24-20-9-3-4-10-21(20)26-23(30)27-22-11-14-25-29(22)19-12-16-28(17-13-19)15-5-8-18-6-1-2-7-18/h3-4,9-11,14,18-19H,1-2,5-8,12-13,15-17H2,(H2,26,27,30)
InChIKeyLOHOOAVDZJTPRC-UHFFFAOYSA-N
XLogP5.79
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.00
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 26320023) is 1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea is O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(CCCC2CCCC2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is LOHOOAVDZJTPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN5O/c24-20-9-3-4-10-21(20)26-23(30)27-22-11-14-25-29(22)19-12-16-28(17-13-19)15-5-8-18-6-1-2-7-18/h3-4,9-11,14,18-19H,1-2,5-8,12-13,15-17H2,(H2,26,27,30).
What are the key properties of 1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 430.00 g/mol, XLogP of 5.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 26320023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).