2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide

C10H16ClN3O3 — CID 125165617

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
SMILESCOC[C@@H](O)CNC(=O)Cn1cc(Cl)c(C)n1
InChIInChI=1S/C10H16ClN3O3/c1-7-9(11)4-14(13-7)5-10(16)12-3-8(15)6-17-2/h4,8,15H,3,5-6H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyIBNHRRJIDGAHSU-QMMMGPOBSA-N
MW261.71 g/mol
LogP-0.03
Rot. Bonds6

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide (PubChem CID 125165617) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
PubChem CID125165617
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
SMILESCOC[C@@H](O)CNC(=O)Cn1cc(Cl)c(C)n1
InChIInChI=1S/C10H16ClN3O3/c1-7-9(11)4-14(13-7)5-10(16)12-3-8(15)6-17-2/h4,8,15H,3,5-6H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyIBNHRRJIDGAHSU-QMMMGPOBSA-N
XLogP-0.03
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide (CID 125165617) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide is COC[C@@H](O)CNC(=O)Cn1cc(Cl)c(C)n1.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide?
The InChIKey is IBNHRRJIDGAHSU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-7-9(11)4-14(13-7)5-10(16)12-3-8(15)6-17-2/h4,8,15H,3,5-6H2,1-2H3,(H,12,16)/t8-/m0/s1.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide has a molecular weight of 261.71 g/mol, XLogP of -0.03, 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-[(2S)-2-hydroxy-3-methoxypropyl]acetamide is sourced from PubChem (CID 125165617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).