1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid

C12H16N6O3 — CID 166396037

IUPAC1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid
SMILESCn1cnnc1CCC(=O)NCc1cnn(C)c1C(=O)O
InChIInChI=1S/C12H16N6O3/c1-17-7-14-16-9(17)3-4-10(19)13-5-8-6-15-18(2)11(8)12(20)21/h6-7H,3-5H2,1-2H3,(H,13,19)(H,20,21)
InChIKeyCSUOFWAVGOYBFZ-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.50
Rot. Bonds6

About 1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid

1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid (PubChem CID 166396037) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid
PubChem CID166396037
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid
SMILESCn1cnnc1CCC(=O)NCc1cnn(C)c1C(=O)O
InChIInChI=1S/C12H16N6O3/c1-17-7-14-16-9(17)3-4-10(19)13-5-8-6-15-18(2)11(8)12(20)21/h6-7H,3-5H2,1-2H3,(H,13,19)(H,20,21)
InChIKeyCSUOFWAVGOYBFZ-UHFFFAOYSA-N
XLogP-0.50
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid with MolForge

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Related Compounds

6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-6-oxohexanoic acid
CID 54895602
N-[2-(diethylamino)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74245822
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 118764161
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-oxobutanamide
CID 61004110
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
3-[2-[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]ethoxy]benzoic acid
CID 122568183
4-[[(2-benzyl-3-phenylpropanoyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 166396192
1-methyl-4-[[[4-(methylcarbamoyl)phenyl]methylamino]methyl]pyrazole-5-carboxylic acid
CID 166253855
1-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622573
1,3-dimethyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazole-4-carboxylic acid
CID 63756912
5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 63331300
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(3-nitrophenyl)propanamide
CID 71972626

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid (CID 166396037) is 1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid is Cn1cnnc1CCC(=O)NCc1cnn(C)c1C(=O)O.
What is the InChIKey of 1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid?
The InChIKey is CSUOFWAVGOYBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-17-7-14-16-9(17)3-4-10(19)13-5-8-6-15-18(2)11(8)12(20)21/h6-7H,3-5H2,1-2H3,(H,13,19)(H,20,21).
What are the key properties of 1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid?
1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(4-methyl-1,2,4-triazol-3-yl)propanoylamino]methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 166396037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).