4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid

C14H15N5O2S — CID 135115422

IUPAC4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCN(Cc1cc(-c2cccs2)n[nH]1)Cc1cn[nH]c1C(=O)O
InChIInChI=1S/C14H15N5O2S/c1-19(7-9-6-15-18-13(9)14(20)21)8-10-5-11(17-16-10)12-3-2-4-22-12/h2-6H,7-8H2,1H3,(H,15,18)(H,16,17)(H,20,21)
InChIKeyKFZDEAJTHPLDNE-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.19
Rot. Bonds6

About 4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid

4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 135115422) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID135115422
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCN(Cc1cc(-c2cccs2)n[nH]1)Cc1cn[nH]c1C(=O)O
InChIInChI=1S/C14H15N5O2S/c1-19(7-9-6-15-18-13(9)14(20)21)8-10-5-11(17-16-10)12-3-2-4-22-12/h2-6H,7-8H2,1H3,(H,15,18)(H,16,17)(H,20,21)
InChIKeyKFZDEAJTHPLDNE-UHFFFAOYSA-N
XLogP2.19
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-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

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid (CID 135115422) is 4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid is CN(Cc1cc(-c2cccs2)n[nH]1)Cc1cn[nH]c1C(=O)O.
What is the InChIKey of 4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is KFZDEAJTHPLDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-19(7-9-6-15-18-13(9)14(20)21)8-10-5-11(17-16-10)12-3-2-4-22-12/h2-6H,7-8H2,1H3,(H,15,18)(H,16,17)(H,20,21).
What are the key properties of 4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid?
4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]amino]methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 135115422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).