(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide

C17H19N5O2 — CID 124877320

IUPAC(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)[C@@H](O)c1cnn(C)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H19N5O2/c1-12(20-17(24)16(23)14-10-19-21(2)11-14)13-5-3-6-15(9-13)22-8-4-7-18-22/h3-12,16,23H,1-2H3,(H,20,24)/t12-,16+/m1/s1
InChIKeyXQWUEQLSMZHBGI-WBMJQRKESA-N
MW325.37 g/mol
LogP1.52
Rot. Bonds5

About (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide

(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 124877320) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID124877320
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)[C@@H](O)c1cnn(C)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H19N5O2/c1-12(20-17(24)16(23)14-10-19-21(2)11-14)13-5-3-6-15(9-13)22-8-4-7-18-22/h3-12,16,23H,1-2H3,(H,20,24)/t12-,16+/m1/s1
InChIKeyXQWUEQLSMZHBGI-WBMJQRKESA-N
XLogP1.52
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95933671
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 120933170
3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95906003
cis-(1R,2S)-2-[[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119060
(2S,4S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120633546
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
(5S)-5-methyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-thiazepane-4-carboxamide
CID 99827842
2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide
CID 166217035
3-amino-N-[1-(3-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788707
4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120933172

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide (CID 124877320) is (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide is C[C@@H](NC(=O)[C@@H](O)c1cnn(C)c1)c1cccc(-n2cccn2)c1.
What is the InChIKey of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is XQWUEQLSMZHBGI-WBMJQRKESA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12(20-17(24)16(23)14-10-19-21(2)11-14)13-5-3-6-15(9-13)22-8-4-7-18-22/h3-12,16,23H,1-2H3,(H,20,24)/t12-,16+/m1/s1.
What are the key properties of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide?
(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 124877320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).