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

C17H21ClN6O2 — CID 56738904

IUPAC1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
SMILESNCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H21ClN6O2/c18-13-3-1-2-4-14(13)21-17(26)22-15-5-8-20-24(15)12-6-9-23(10-7-12)16(25)11-19/h1-5,8,12H,6-7,9-11,19H2,(H2,21,22,26)
InChIKeyUKBBWQUILRRANN-UHFFFAOYSA-N
MW376.85 g/mol
LogP2.30
Rot. Bonds4

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

1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea (PubChem CID 56738904) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
PubChem CID56738904
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC Name1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
SMILESNCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H21ClN6O2/c18-13-3-1-2-4-14(13)21-17(26)22-15-5-8-20-24(15)12-6-9-23(10-7-12)16(25)11-19/h1-5,8,12H,6-7,9-11,19H2,(H2,21,22,26)
InChIKeyUKBBWQUILRRANN-UHFFFAOYSA-N
XLogP2.30
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-(2-aminoacetyl)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-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
The IUPAC name of 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea (CID 56738904) is 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea is NCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
The InChIKey is UKBBWQUILRRANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2/c18-13-3-1-2-4-14(13)21-17(26)22-15-5-8-20-24(15)12-6-9-23(10-7-12)16(25)11-19/h1-5,8,12H,6-7,9-11,19H2,(H2,21,22,26).
What are the key properties of 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea has a molecular weight of 376.85 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea is sourced from PubChem (CID 56738904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).