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

C19H26ClN5O2 — CID 56720779

IUPAC1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOCC(C)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H26ClN5O2/c1-14(13-27-2)24-11-8-15(9-12-24)25-18(7-10-21-25)23-19(26)22-17-6-4-3-5-16(17)20/h3-7,10,14-15H,8-9,11-13H2,1-2H3,(H2,22,23,26)
InChIKeyZUCLKIRPLLWTET-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.85
Rot. Bonds6

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

1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 56720779) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID56720779
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC Name1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOCC(C)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H26ClN5O2/c1-14(13-27-2)24-11-8-15(9-12-24)25-18(7-10-21-25)23-19(26)22-17-6-4-3-5-16(17)20/h3-7,10,14-15H,8-9,11-13H2,1-2H3,(H2,22,23,26)
InChIKeyZUCLKIRPLLWTET-UHFFFAOYSA-N
XLogP3.85
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea (CID 56720779) is 1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea is COCC(C)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is ZUCLKIRPLLWTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O2/c1-14(13-27-2)24-11-8-15(9-12-24)25-18(7-10-21-25)23-19(26)22-17-6-4-3-5-16(17)20/h3-7,10,14-15H,8-9,11-13H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 391.90 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 56720779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).