4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine

C17H21N7O3 — CID 71295551

IUPAC4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)O.NCCc1nc2ccccn2n1
InChIInChI=1S/C9H11N3O3.C8H10N4/c1-11-7(9(14)15)6(5-10-11)8(13)12-3-2-4-12;9-5-4-7-10-8-3-1-2-6-12(8)11-7/h5H,2-4H2,1H3,(H,14,15);1-3,6H,4-5,9H2
InChIKeyIABZFWLLRQOOKY-UHFFFAOYSA-N
MW371.40 g/mol
LogP0.19
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine

4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine (PubChem CID 71295551) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
PubChem CID71295551
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)O.NCCc1nc2ccccn2n1
InChIInChI=1S/C9H11N3O3.C8H10N4/c1-11-7(9(14)15)6(5-10-11)8(13)12-3-2-4-12;9-5-4-7-10-8-3-1-2-6-12(8)11-7/h5H,2-4H2,1H3,(H,14,15);1-3,6H,4-5,9H2
InChIKeyIABZFWLLRQOOKY-UHFFFAOYSA-N
XLogP0.19
TPSA131.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-[5-phenyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanamine
CID 171924937
4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 172690687
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71506857
4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57377746
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57378287
4-(azetidine-1-carbonyl)-N-[2-(2-hydroxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 158629431
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 159743631
4-[4-[(2,3-difluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-5-carboxylic acid
CID 19496196
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57377957
8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 123237754
1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 157234264
4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415380

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine (CID 71295551) is 4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine is Cn1ncc(C(=O)N2CCC2)c1C(=O)O.NCCc1nc2ccccn2n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
The InChIKey is IABZFWLLRQOOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3.C8H10N4/c1-11-7(9(14)15)6(5-10-11)8(13)12-3-2-4-12;9-5-4-7-10-8-3-1-2-6-12(8)11-7/h5H,2-4H2,1H3,(H,14,15);1-3,6H,4-5,9H2.
What are the key properties of 4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine?
4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine has a molecular weight of 371.40 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine is sourced from PubChem (CID 71295551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).