2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide

C11H17ClN4O2 — CID 56912106

IUPAC2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide
SMILESO=C(Cn1cc(Cl)cn1)NC[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C11H17ClN4O2/c12-9-4-15-16(6-9)7-11(18)14-3-8-1-2-13-5-10(8)17/h4,6,8,10,13,17H,1-3,5,7H2,(H,14,18)/t8-,10+/m0/s1
InChIKeyCMXAWBOQAHGQEE-WCBMZHEXSA-N
MW272.74 g/mol
LogP-0.38
Rot. Bonds4

About 2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide

2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide (PubChem CID 56912106) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide
PubChem CID56912106
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide
SMILESO=C(Cn1cc(Cl)cn1)NC[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C11H17ClN4O2/c12-9-4-15-16(6-9)7-11(18)14-3-8-1-2-13-5-10(8)17/h4,6,8,10,13,17H,1-3,5,7H2,(H,14,18)/t8-,10+/m0/s1
InChIKeyCMXAWBOQAHGQEE-WCBMZHEXSA-N
XLogP-0.38
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide (CID 56912106) is 2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide is O=C(Cn1cc(Cl)cn1)NC[C@@H]1CCNC[C@H]1O.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide?
The InChIKey is CMXAWBOQAHGQEE-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c12-9-4-15-16(6-9)7-11(18)14-3-8-1-2-13-5-10(8)17/h4,6,8,10,13,17H,1-3,5,7H2,(H,14,18)/t8-,10+/m0/s1.
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide?
2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide has a molecular weight of 272.74 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 56912106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).