N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide

C17H21ClN4O2 — CID 70889256

IUPACN-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide
SMILESO=C(C[C@H]1CCN[C@@H](CO)C1)Nc1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C17H21ClN4O2/c18-14-3-1-2-4-15(14)22-8-6-16(21-22)20-17(24)10-12-5-7-19-13(9-12)11-23/h1-4,6,8,12-13,19,23H,5,7,9-11H2,(H,20,21,24)/t12-,13+/m0/s1
InChIKeyCJLJAVXTJHZYHF-QWHCGFSZSA-N
MW348.83 g/mol
LogP2.21
Rot. Bonds5

About N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide

N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide (PubChem CID 70889256) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide
PubChem CID70889256
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide
SMILESO=C(C[C@H]1CCN[C@@H](CO)C1)Nc1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C17H21ClN4O2/c18-14-3-1-2-4-15(14)22-8-6-16(21-22)20-17(24)10-12-5-7-19-13(9-12)11-23/h1-4,6,8,12-13,19,23H,5,7,9-11H2,(H,20,21,24)/t12-,13+/m0/s1
InChIKeyCJLJAVXTJHZYHF-QWHCGFSZSA-N
XLogP2.21
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide (CID 70889256) is N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide is O=C(C[C@H]1CCN[C@@H](CO)C1)Nc1ccn(-c2ccccc2Cl)n1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide?
The InChIKey is CJLJAVXTJHZYHF-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-14-3-1-2-4-15(14)22-8-6-16(21-22)20-17(24)10-12-5-7-19-13(9-12)11-23/h1-4,6,8,12-13,19,23H,5,7,9-11H2,(H,20,21,24)/t12-,13+/m0/s1.
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide?
N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide has a molecular weight of 348.83 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 70889256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).