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

C18H23ClN6O2 — CID 56746264

IUPAC1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea
SMILESCNCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN6O2/c1-20-12-17(26)24-10-7-13(8-11-24)25-16(6-9-21-25)23-18(27)22-15-5-3-2-4-14(15)19/h2-6,9,13,20H,7-8,10-12H2,1H3,(H2,22,23,27)
InChIKeyUKIRVIZJOZDUGJ-UHFFFAOYSA-N
MW390.88 g/mol
LogP2.56
Rot. Bonds5

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

1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 56746264) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID56746264
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea
SMILESCNCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN6O2/c1-20-12-17(26)24-10-7-13(8-11-24)25-16(6-9-21-25)23-18(27)22-15-5-3-2-4-14(15)19/h2-6,9,13,20H,7-8,10-12H2,1H3,(H2,22,23,27)
InChIKeyUKIRVIZJOZDUGJ-UHFFFAOYSA-N
XLogP2.56
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea (CID 56746264) is 1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea is CNCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is UKIRVIZJOZDUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c1-20-12-17(26)24-10-7-13(8-11-24)25-16(6-9-21-25)23-18(27)22-15-5-3-2-4-14(15)19/h2-6,9,13,20H,7-8,10-12H2,1H3,(H2,22,23,27).
What are the key properties of 1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 390.88 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-[1-[2-(methylamino)acetyl]piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 56746264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).