2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid

C16H22N6O2 — CID 140983432

IUPAC2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)C(CCCN1CCN(c2ncccn2)CC1)n1cccn1
InChIInChI=1S/C16H22N6O2/c23-15(24)14(22-9-3-7-19-22)4-1-8-20-10-12-21(13-11-20)16-17-5-2-6-18-16/h2-3,5-7,9,14H,1,4,8,10-13H2,(H,23,24)
InChIKeyVHFCKDUSUHBKGE-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.90
Rot. Bonds7

About 2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid

2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid (PubChem CID 140983432) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
PubChem CID140983432
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)C(CCCN1CCN(c2ncccn2)CC1)n1cccn1
InChIInChI=1S/C16H22N6O2/c23-15(24)14(22-9-3-7-19-22)4-1-8-20-10-12-21(13-11-20)16-17-5-2-6-18-16/h2-3,5-7,9,14H,1,4,8,10-13H2,(H,23,24)
InChIKeyVHFCKDUSUHBKGE-UHFFFAOYSA-N
XLogP0.90
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(Pyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 656362
L-Proline, 4-(4-(2-pyrimidinyl)-1-piperazinyl)-, (4S)-
CID 118753184
(2S,4R)-4-(dimethylamino)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 50948958
1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71778751
(S)-1-(Pyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 1442063
2-(4-Pyrimidin-2-ylpiperazin-1-yl)hexanoic acid
CID 19810560
5-(4-Pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
(2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid
CID 67330690
2-Amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid
CID 67330698
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2-carboxylic acid
CID 68809634
(2S)-1-(pyrimidin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 94550120
4-(6-Pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)butanoic acid
CID 147723950

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid (CID 140983432) is 2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid is O=C(O)C(CCCN1CCN(c2ncccn2)CC1)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The InChIKey is VHFCKDUSUHBKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c23-15(24)14(22-9-3-7-19-22)4-1-8-20-10-12-21(13-11-20)16-17-5-2-6-18-16/h2-3,5-7,9,14H,1,4,8,10-13H2,(H,23,24).
What are the key properties of 2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid has a molecular weight of 330.39 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 140983432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).