N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

C19H27N3O3 — CID 124855122

IUPACN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)Cc1c(-c2ccc(OC)cc2)n[nH]c1C
InChIInChI=1S/C19H27N3O3/c1-5-12(2)17(11-23)20-18(24)10-16-13(3)21-22-19(16)14-6-8-15(25-4)9-7-14/h6-9,12,17,23H,5,10-11H2,1-4H3,(H,20,24)(H,21,22)/t12-,17+/m1/s1
InChIKeyYOXCQCZVONSXJO-PXAZEXFGSA-N
MW345.44 g/mol
LogP2.46
Rot. Bonds8

About N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (PubChem CID 124855122) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
PubChem CID124855122
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)Cc1c(-c2ccc(OC)cc2)n[nH]c1C
InChIInChI=1S/C19H27N3O3/c1-5-12(2)17(11-23)20-18(24)10-16-13(3)21-22-19(16)14-6-8-15(25-4)9-7-14/h6-9,12,17,23H,5,10-11H2,1-4H3,(H,20,24)(H,21,22)/t12-,17+/m1/s1
InChIKeyYOXCQCZVONSXJO-PXAZEXFGSA-N
XLogP2.46
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (CID 124855122) is N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is CC[C@@H](C)[C@H](CO)NC(=O)Cc1c(-c2ccc(OC)cc2)n[nH]c1C.
What is the InChIKey of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The InChIKey is YOXCQCZVONSXJO-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-12(2)17(11-23)20-18(24)10-16-13(3)21-22-19(16)14-6-8-15(25-4)9-7-14/h6-9,12,17,23H,5,10-11H2,1-4H3,(H,20,24)(H,21,22)/t12-,17+/m1/s1.
What are the key properties of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 124855122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).