2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid

C12H15N3O2S — CID 82894125

IUPAC2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid
SMILESCc1n[nH]c(C)c1NCc1ccc(CC(=O)O)s1
InChIInChI=1S/C12H15N3O2S/c1-7-12(8(2)15-14-7)13-6-10-4-3-9(18-10)5-11(16)17/h3-4,13H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVXUOIAGWHUXRJE-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.33
Rot. Bonds5

About 2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid

2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid (PubChem CID 82894125) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid
PubChem CID82894125
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid
SMILESCc1n[nH]c(C)c1NCc1ccc(CC(=O)O)s1
InChIInChI=1S/C12H15N3O2S/c1-7-12(8(2)15-14-7)13-6-10-4-3-9(18-10)5-11(16)17/h3-4,13H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVXUOIAGWHUXRJE-UHFFFAOYSA-N
XLogP2.33
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid with MolForge

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Related Compounds

2-[[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]-2-thiophen-2-ylacetic acid
CID 167940338
3-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide
CID 43546829
5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 43547791
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 43727771
3-(1H-pyrazol-5-ylmethylamino)-3-thiophen-2-ylpropanoic acid
CID 43727776
5-[(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 50896486
3-[1-(1H-pyrazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoic acid
CID 54881907
3-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76906495
2-[5-[[(3,5-Dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid
CID 82887581
2-[5-[[(1-Methylpyrazol-3-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82888791
methyl 2-[5-[(1H-pyrazol-4-ylamino)methyl]thiophen-2-yl]acetate
CID 82893981
2-[5-[[(1-Ethylpyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid
CID 82893982

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid (CID 82894125) is 2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid is Cc1n[nH]c(C)c1NCc1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is VXUOIAGWHUXRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-12(8(2)15-14-7)13-6-10-4-3-9(18-10)5-11(16)17/h3-4,13H,5-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 265.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 82894125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).