2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid

C11H11N3O3S — CID 113279490

IUPAC2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid
SMILESCn1cc(C(NC(=O)c2ccsc2)C(=O)O)cn1
InChIInChI=1S/C11H11N3O3S/c1-14-5-8(4-12-14)9(11(16)17)13-10(15)7-2-3-18-6-7/h2-6,9H,1H3,(H,13,15)(H,16,17)
InChIKeyLXTDRNPPPWALMP-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.04
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid

2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid (PubChem CID 113279490) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid
PubChem CID113279490
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid
SMILESCn1cc(C(NC(=O)c2ccsc2)C(=O)O)cn1
InChIInChI=1S/C11H11N3O3S/c1-14-5-8(4-12-14)9(11(16)17)13-10(15)7-2-3-18-6-7/h2-6,9H,1H3,(H,13,15)(H,16,17)
InChIKeyLXTDRNPPPWALMP-UHFFFAOYSA-N
XLogP1.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288199
2-[(3,4-dimethylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287952
2-[[4-(aminomethyl)benzoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288689
2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287993
2-[(4-fluoro-3-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288039
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288203
2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid
CID 115288107
2-[(4-hydroxy-2-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 107670892
2-[(2-iodobenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287967
2-[(5-fluoropyridine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104638368
2-[(2-hydroxy-5-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288214
2-[(2,4-dibromobenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 107938256

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid (CID 113279490) is 2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid is Cn1cc(C(NC(=O)c2ccsc2)C(=O)O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid?
The InChIKey is LXTDRNPPPWALMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-14-5-8(4-12-14)9(11(16)17)13-10(15)7-2-3-18-6-7/h2-6,9H,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid?
2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid has a molecular weight of 265.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid is sourced from PubChem (CID 113279490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).