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

C18H22ClN5O2 — CID 56747961

IUPAC1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea
SMILESCCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H22ClN5O2/c1-2-17(25)23-11-8-13(9-12-23)24-16(7-10-20-24)22-18(26)21-15-6-4-3-5-14(15)19/h3-7,10,13H,2,8-9,11-12H2,1H3,(H2,21,22,26)
InChIKeyYFAFTDCXGVFDEO-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.75
Rot. Bonds4

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

1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea (PubChem CID 56747961) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea
PubChem CID56747961
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea
SMILESCCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H22ClN5O2/c1-2-17(25)23-11-8-13(9-12-23)24-16(7-10-20-24)22-18(26)21-15-6-4-3-5-14(15)19/h3-7,10,13H,2,8-9,11-12H2,1H3,(H2,21,22,26)
InChIKeyYFAFTDCXGVFDEO-UHFFFAOYSA-N
XLogP3.75
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea (CID 56747961) is 1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea is CCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea?
The InChIKey is YFAFTDCXGVFDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-2-17(25)23-11-8-13(9-12-23)24-16(7-10-20-24)22-18(26)21-15-6-4-3-5-14(15)19/h3-7,10,13H,2,8-9,11-12H2,1H3,(H2,21,22,26).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea?
1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea has a molecular weight of 375.86 g/mol, XLogP of 3.75, 4 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-propanoylpiperidin-4-yl)pyrazol-3-yl]urea is sourced from PubChem (CID 56747961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).