4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid

C14H19N3O3S — CID 91765282

IUPAC4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCOCCN(Cc1ccc(C)s1)Cc1cn[nH]c1C(=O)O
InChIInChI=1S/C14H19N3O3S/c1-10-3-4-12(21-10)9-17(5-6-20-2)8-11-7-15-16-13(11)14(18)19/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyTXHUARASCQJCFQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.13
Rot. Bonds8

About 4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid

4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 91765282) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID91765282
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCOCCN(Cc1ccc(C)s1)Cc1cn[nH]c1C(=O)O
InChIInChI=1S/C14H19N3O3S/c1-10-3-4-12(21-10)9-17(5-6-20-2)8-11-7-15-16-13(11)14(18)19/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyTXHUARASCQJCFQ-UHFFFAOYSA-N
XLogP2.13
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid with MolForge

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Related Compounds

(1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
CID 93163298
2-[(5-methylthiophen-2-yl)methyl-propylamino]acetic acid
CID 65064587
1-(2-methoxyethyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea
CID 125438850
1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea
CID 122560644
2-[[2-methoxyethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 46988014
N-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
CID 74231062
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 60761461
5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
CID 103249681
2-[2-methoxyethyl-[(5-methoxythiophen-2-yl)methyl]amino]ethanol
CID 115882726
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
4-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]-1H-pyrazole-5-carboxylic acid
CID 95554956
N,N-dimethyl-2-(5-methylthiophen-2-yl)acetamide
CID 127015462

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid (CID 91765282) is 4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid is COCCN(Cc1ccc(C)s1)Cc1cn[nH]c1C(=O)O.
What is the InChIKey of 4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is TXHUARASCQJCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-3-4-12(21-10)9-17(5-6-20-2)8-11-7-15-16-13(11)14(18)19/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid?
4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 91765282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).