4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid

C17H18N6O3 — CID 56899929

IUPAC4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)c3cnn4cccnc34)CC2)c1
InChIInChI=1S/C17H18N6O3/c1-12-9-20-23(11-12)17(16(25)26)3-7-21(8-4-17)15(24)13-10-19-22-6-2-5-18-14(13)22/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,25,26)
InChIKeyPOFGZXKQKGHRLR-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.95
Rot. Bonds3

About 4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid

4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 56899929) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID56899929
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)c3cnn4cccnc34)CC2)c1
InChIInChI=1S/C17H18N6O3/c1-12-9-20-23(11-12)17(16(25)26)3-7-21(8-4-17)15(24)13-10-19-22-6-2-5-18-14(13)22/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,25,26)
InChIKeyPOFGZXKQKGHRLR-UHFFFAOYSA-N
XLogP0.95
TPSA105.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid (CID 56899929) is 4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)c3cnn4cccnc34)CC2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is POFGZXKQKGHRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-12-9-20-23(11-12)17(16(25)26)3-7-21(8-4-17)15(24)13-10-19-22-6-2-5-18-14(13)22/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,25,26).
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid?
4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 354.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56899929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).