(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride

C14H19ClN4O2 — CID 154894262

IUPAC(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H](N)CO.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-17(14(20)13(15)10-19)9-11-3-5-12(6-4-11)18-8-2-7-16-18;/h2-8,13,19H,9-10,15H2,1H3;1H/t13-;/m0./s1
InChIKeyNAOVSNAOWANYGF-ZOWNYOTGSA-N
MW310.79 g/mol
LogP0.57
Rot. Bonds5

About (2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride

(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride (PubChem CID 154894262) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
PubChem CID154894262
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H](N)CO.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-17(14(20)13(15)10-19)9-11-3-5-12(6-4-11)18-8-2-7-16-18;/h2-8,13,19H,9-10,15H2,1H3;1H/t13-;/m0./s1
InChIKeyNAOVSNAOWANYGF-ZOWNYOTGSA-N
XLogP0.57
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
CID 70746658
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CID 62820545
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
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N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 70711180
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 70786327
N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 70714246
N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809
4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 19277952
3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 131907822
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 70736931
N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide
CID 70777675

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride (CID 154894262) is (2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride is CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H](N)CO.Cl.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride?
The InChIKey is NAOVSNAOWANYGF-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-17(14(20)13(15)10-19)9-11-3-5-12(6-4-11)18-8-2-7-16-18;/h2-8,13,19H,9-10,15H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride?
(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 154894262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).