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

C19H24ClN5O2 — CID 56744087

IUPAC1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCC(C)C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H24ClN5O2/c1-13(2)18(26)24-11-8-14(9-12-24)25-17(7-10-21-25)23-19(27)22-16-6-4-3-5-15(16)20/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H2,22,23,27)
InChIKeyYWZRESVUYGRKAU-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.00
Rot. Bonds4

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

1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 56744087) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID56744087
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCC(C)C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H24ClN5O2/c1-13(2)18(26)24-11-8-14(9-12-24)25-17(7-10-21-25)23-19(27)22-16-6-4-3-5-15(16)20/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H2,22,23,27)
InChIKeyYWZRESVUYGRKAU-UHFFFAOYSA-N
XLogP4.00
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.00
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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 56744087) is 1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea is CC(C)C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is YWZRESVUYGRKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-13(2)18(26)24-11-8-14(9-12-24)25-17(7-10-21-25)23-19(27)22-16-6-4-3-5-15(16)20/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H2,22,23,27).
What are the key properties of 1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 389.89 g/mol, XLogP of 4.00, 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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 56744087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).