1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid

C17H23N5O2 — CID 71564116

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCc1cc(C)n(-c2nc(C)c(C)c(N3CCCC(C(=O)O)C3)n2)n1
InChIInChI=1S/C17H23N5O2/c1-10-8-11(2)22(20-10)17-18-13(4)12(3)15(19-17)21-7-5-6-14(9-21)16(23)24/h8,14H,5-7,9H2,1-4H3,(H,23,24)
InChIKeySEAGJMPGMIGLLK-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.20
Rot. Bonds3

About 1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid

1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 71564116) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID71564116
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCc1cc(C)n(-c2nc(C)c(C)c(N3CCCC(C(=O)O)C3)n2)n1
InChIInChI=1S/C17H23N5O2/c1-10-8-11(2)22(20-10)17-18-13(4)12(3)15(19-17)21-7-5-6-14(9-21)16(23)24/h8,14H,5-7,9H2,1-4H3,(H,23,24)
InChIKeySEAGJMPGMIGLLK-UHFFFAOYSA-N
XLogP2.20
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
CID 95768737
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
1-(4-methyl-5-nitropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122051004
5-bromo-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine
CID 40947065
1-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperidin-3-ol
CID 134158125
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408
(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042
2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 79015205
(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 95785321
1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid
CID 90481003
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122051160

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid (CID 71564116) is 1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid is Cc1cc(C)n(-c2nc(C)c(C)c(N3CCCC(C(=O)O)C3)n2)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is SEAGJMPGMIGLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10-8-11(2)22(20-10)17-18-13(4)12(3)15(19-17)21-7-5-6-14(9-21)16(23)24/h8,14H,5-7,9H2,1-4H3,(H,23,24).
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid?
1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 71564116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).