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

C18H23ClN6O2 — CID 56758207

IUPAC1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
SMILESC[C@@H](N)C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN6O2/c1-12(20)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/h2-6,9,12-13H,7-8,10-11,20H2,1H3,(H2,22,23,27)/t12-/m1/s1
InChIKeyHHOCDJAOUAZHRN-GFCCVEGCSA-N
MW390.88 g/mol
LogP2.69
Rot. Bonds4

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

1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea (PubChem CID 56758207) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
PubChem CID56758207
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
SMILESC[C@@H](N)C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN6O2/c1-12(20)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/h2-6,9,12-13H,7-8,10-11,20H2,1H3,(H2,22,23,27)/t12-/m1/s1
InChIKeyHHOCDJAOUAZHRN-GFCCVEGCSA-N
XLogP2.69
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)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-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
The IUPAC name of 1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea (CID 56758207) is 1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea is C[C@@H](N)C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
The InChIKey is HHOCDJAOUAZHRN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c1-12(20)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/h2-6,9,12-13H,7-8,10-11,20H2,1H3,(H2,22,23,27)/t12-/m1/s1.
What are the key properties of 1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea has a molecular weight of 390.88 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea is sourced from PubChem (CID 56758207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).