(3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid

C16H19N3O3 — CID 91840072

IUPAC(3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid
SMILESCc1ccc(-n2cccn2)c(CN2CCOC[C@@H]2C(=O)O)c1
InChIInChI=1S/C16H19N3O3/c1-12-3-4-14(19-6-2-5-17-19)13(9-12)10-18-7-8-22-11-15(18)16(20)21/h2-6,9,15H,7-8,10-11H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeySNGMZMGXGGEXQY-OAHLLOKOSA-N
MW301.35 g/mol
LogP1.47
Rot. Bonds4

About (3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid

(3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid (PubChem CID 91840072) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid
PubChem CID91840072
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid
SMILESCc1ccc(-n2cccn2)c(CN2CCOC[C@@H]2C(=O)O)c1
InChIInChI=1S/C16H19N3O3/c1-12-3-4-14(19-6-2-5-17-19)13(9-12)10-18-7-8-22-11-15(18)16(20)21/h2-6,9,15H,7-8,10-11H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeySNGMZMGXGGEXQY-OAHLLOKOSA-N
XLogP1.47
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179
4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid
CID 81320292
4-[(4-chloro-2-methylphenyl)methyl]morpholine-3-carboxylic acid
CID 114076020
(3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
CID 125133070
(3R)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
CID 125133071
4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 77087015
4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid
CID 115960550
1-[2-(bromomethyl)-4-methylphenyl]pyrazole
CID 106765702
N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 42216536
(2S,4R)-1-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 135095107
4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid
CID 82389048
(3S)-4-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133250

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid (CID 91840072) is (3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid is Cc1ccc(-n2cccn2)c(CN2CCOC[C@@H]2C(=O)O)c1.
What is the InChIKey of (3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid?
The InChIKey is SNGMZMGXGGEXQY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12-3-4-14(19-6-2-5-17-19)13(9-12)10-18-7-8-22-11-15(18)16(20)21/h2-6,9,15H,7-8,10-11H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid?
(3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 91840072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).