2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid

C14H20N6O3 — CID 120698967

IUPAC2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCCCn1nc(C)c(C(=O)NCc2cn(CC(=O)O)nn2)c1C
InChIInChI=1S/C14H20N6O3/c1-4-5-20-10(3)13(9(2)17-20)14(23)15-6-11-7-19(18-16-11)8-12(21)22/h7H,4-6,8H2,1-3H3,(H,15,23)(H,21,22)
InChIKeyLADKFJLEMZEGKU-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.52
Rot. Bonds7

About 2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 120698967) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID120698967
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC Name2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCCCn1nc(C)c(C(=O)NCc2cn(CC(=O)O)nn2)c1C
InChIInChI=1S/C14H20N6O3/c1-4-5-20-10(3)13(9(2)17-20)14(23)15-6-11-7-19(18-16-11)8-12(21)22/h7H,4-6,8H2,1-3H3,(H,15,23)(H,21,22)
InChIKeyLADKFJLEMZEGKU-UHFFFAOYSA-N
XLogP0.52
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698142
2-[4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313829
2-[4-[[(3-bromo-5-methylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 104850882
2-[4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457604
7-[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350682
2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115457511
2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid
CID 115458155
2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457393
2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698479
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 119643471
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698597
2-[4-[[[2-oxo-2-(propylamino)ethyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458538

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 120698967) is 2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid is CCCn1nc(C)c(C(=O)NCc2cn(CC(=O)O)nn2)c1C.
What is the InChIKey of 2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is LADKFJLEMZEGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-4-5-20-10(3)13(9(2)17-20)14(23)15-6-11-7-19(18-16-11)8-12(21)22/h7H,4-6,8H2,1-3H3,(H,15,23)(H,21,22).
What are the key properties of 2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120698967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).