1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C17H24N6O2 — CID 56892107

IUPAC1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCCCNc1ncc(CN2CCC(C(=O)O)(n3cccn3)CC2)cn1
InChIInChI=1S/C17H24N6O2/c1-2-6-18-16-19-11-14(12-20-16)13-22-9-4-17(5-10-22,15(24)25)23-8-3-7-21-23/h3,7-8,11-12H,2,4-6,9-10,13H2,1H3,(H,24,25)(H,18,19,20)
InChIKeyKFWMBYRLQOGKNS-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.57
Rot. Bonds7

About 1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56892107) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56892107
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCCCNc1ncc(CN2CCC(C(=O)O)(n3cccn3)CC2)cn1
InChIInChI=1S/C17H24N6O2/c1-2-6-18-16-19-11-14(12-20-16)13-22-9-4-17(5-10-22,15(24)25)23-8-3-7-21-23/h3,7-8,11-12H,2,4-6,9-10,13H2,1H3,(H,24,25)(H,18,19,20)
InChIKeyKFWMBYRLQOGKNS-UHFFFAOYSA-N
XLogP1.57
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56912577
1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56895252
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[4-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56905596
1-[5-Fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 70731285
4-(4-methyl-1H-pyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 70732256
2-Pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 140983432
4-Methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 152268396
Methyl 4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylate
CID 153525506
4-Methyl-1-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 156298633
4-Methyl-1-[2-[methyl-(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 156315503
1-[2-(4-Methylpyrazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 172581452
1-[4-(4-Methylpyrazol-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 172581480

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56892107) is 1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is CCCNc1ncc(CN2CCC(C(=O)O)(n3cccn3)CC2)cn1.
What is the InChIKey of 1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is KFWMBYRLQOGKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-2-6-18-16-19-11-14(12-20-16)13-22-9-4-17(5-10-22,15(24)25)23-8-3-7-21-23/h3,7-8,11-12H,2,4-6,9-10,13H2,1H3,(H,24,25)(H,18,19,20).
What are the key properties of 1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 344.42 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56892107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).