2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide

C17H23N3O2 — CID 99825884

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@H](C)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C17H23N3O2/c1-11-15(12(2)20-19-11)10-17(22)18-13(3)16(21)9-14-7-5-4-6-8-14/h4-8,13,16,21H,9-10H2,1-3H3,(H,18,22)(H,19,20)/t13-,16+/m1/s1
InChIKeySATMRNDZVWLVGN-CJNGLKHVSA-N
MW301.39 g/mol
LogP1.68
Rot. Bonds6

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide (PubChem CID 99825884) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide
PubChem CID99825884
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@H](C)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C17H23N3O2/c1-11-15(12(2)20-19-11)10-17(22)18-13(3)16(21)9-14-7-5-4-6-8-14/h4-8,13,16,21H,9-10H2,1-3H3,(H,18,22)(H,19,20)/t13-,16+/m1/s1
InChIKeySATMRNDZVWLVGN-CJNGLKHVSA-N
XLogP1.68
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-phenylbutan-2-yl)-2-(4-phenylphenyl)acetamide
CID 75386489
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 99832422
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-[1-(2-methylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-2-phenylethyl]acetamide
CID 110224410
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide
CID 100671479
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-phenylphenyl)acetamide
CID 9319157
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxypropyl)acetamide
CID 43501139
4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid
CID 43171937
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide
CID 99825759
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 100671691
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 71867002
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 111107196

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide (CID 99825884) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide is Cc1n[nH]c(C)c1CC(=O)N[C@H](C)[C@@H](O)Cc1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide?
The InChIKey is SATMRNDZVWLVGN-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-15(12(2)20-19-11)10-17(22)18-13(3)16(21)9-14-7-5-4-6-8-14/h4-8,13,16,21H,9-10H2,1-3H3,(H,18,22)(H,19,20)/t13-,16+/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 99825884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).