1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid

C13H19N5O3 — CID 103119948

IUPAC1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid
SMILESCOCC(C)n1nnc(C(=O)O)c1-c1c(C)nn(C)c1C
InChIInChI=1S/C13H19N5O3/c1-7(6-21-5)18-12(11(13(19)20)14-16-18)10-8(2)15-17(4)9(10)3/h7H,6H2,1-5H3,(H,19,20)
InChIKeyNKPKBBKBTHJQDJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.20
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid

1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid (PubChem CID 103119948) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid
PubChem CID103119948
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid
SMILESCOCC(C)n1nnc(C(=O)O)c1-c1c(C)nn(C)c1C
InChIInChI=1S/C13H19N5O3/c1-7(6-21-5)18-12(11(13(19)20)14-16-18)10-8(2)15-17(4)9(10)3/h7H,6H2,1-5H3,(H,19,20)
InChIKeyNKPKBBKBTHJQDJ-UHFFFAOYSA-N
XLogP1.20
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-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

Related Compounds

1-pentan-3-yl-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid
CID 103119683
1-(2-hydroxypropyl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid
CID 103119619
1-(2-ethoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid
CID 103119548
1-(1-methoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylic acid
CID 103115227
ethyl 1-(1-methoxypropan-2-yl)-5-propyltriazole-4-carboxylate
CID 103106252
1-butan-2-yl-5-(2-methylpyrazol-3-yl)triazole-4-carboxylic acid
CID 165474487
5-(2-methoxyphenyl)-1-propan-2-yltriazole-4-carboxylic acid
CID 82206744
1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
CID 71853351
5-(2-methoxyethyl)-1-pentan-3-yltriazole-4-carboxylic acid
CID 102646007
1-(3-hydroxybutan-2-yl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643273
1-butan-2-yl-5-(3-methoxyphenyl)triazole-4-carboxylic acid
CID 102645185
3-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]butanoic acid
CID 110447364

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid?
The IUPAC name of 1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid (CID 103119948) is 1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid is COCC(C)n1nnc(C(=O)O)c1-c1c(C)nn(C)c1C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid?
The InChIKey is NKPKBBKBTHJQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-7(6-21-5)18-12(11(13(19)20)14-16-18)10-8(2)15-17(4)9(10)3/h7H,6H2,1-5H3,(H,19,20).
What are the key properties of 1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid?
1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid is sourced from PubChem (CID 103119948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).