4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid

C14H17N3O3S — CID 120534870

IUPAC4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cn(C)nc1-c1cccs1
InChIInChI=1S/C14H17N3O3S/c1-9(5-6-12(18)19)15-14(20)10-8-17(2)16-13(10)11-4-3-7-21-11/h3-4,7-9H,5-6H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyJGYDBIQBHALZTR-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.13
Rot. Bonds6

About 4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid

4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid (PubChem CID 120534870) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
PubChem CID120534870
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cn(C)nc1-c1cccs1
InChIInChI=1S/C14H17N3O3S/c1-9(5-6-12(18)19)15-14(20)10-8-17(2)16-13(10)11-4-3-7-21-11/h3-4,7-9H,5-6H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyJGYDBIQBHALZTR-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid (CID 120534870) is 4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1cn(C)nc1-c1cccs1.
What is the InChIKey of 4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is JGYDBIQBHALZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9(5-6-12(18)19)15-14(20)10-8-17(2)16-13(10)11-4-3-7-21-11/h3-4,7-9H,5-6H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid?
4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 307.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120534870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).