2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide

C14H23ClN4O2 — CID 125175046

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESCc1nn(CC(=O)NCCN2CCCC[C@@H]2CO)cc1Cl
InChIInChI=1S/C14H23ClN4O2/c1-11-13(15)8-19(17-11)9-14(21)16-5-7-18-6-3-2-4-12(18)10-20/h8,12,20H,2-7,9-10H2,1H3,(H,16,21)/t12-/m1/s1
InChIKeyGJVDSQMJLYEBCW-GFCCVEGCSA-N
MW314.82 g/mol
LogP0.81
Rot. Bonds6

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 125175046) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
PubChem CID125175046
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESCc1nn(CC(=O)NCCN2CCCC[C@@H]2CO)cc1Cl
InChIInChI=1S/C14H23ClN4O2/c1-11-13(15)8-19(17-11)9-14(21)16-5-7-18-6-3-2-4-12(18)10-20/h8,12,20H,2-7,9-10H2,1H3,(H,16,21)/t12-/m1/s1
InChIKeyGJVDSQMJLYEBCW-GFCCVEGCSA-N
XLogP0.81
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide 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 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide (CID 125175046) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide is Cc1nn(CC(=O)NCCN2CCCC[C@@H]2CO)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is GJVDSQMJLYEBCW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23ClN4O2/c1-11-13(15)8-19(17-11)9-14(21)16-5-7-18-6-3-2-4-12(18)10-20/h8,12,20H,2-7,9-10H2,1H3,(H,16,21)/t12-/m1/s1.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 314.82 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 125175046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).