1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C14H17N5O2 — CID 56916374

IUPAC1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCc1ccc(N2CCC(C(=O)O)(n3cccn3)CC2)nn1
InChIInChI=1S/C14H17N5O2/c1-11-3-4-12(17-16-11)18-9-5-14(6-10-18,13(20)21)19-8-2-7-15-19/h2-4,7-8H,5-6,9-10H2,1H3,(H,20,21)
InChIKeyQYGQXCTXMJEOSX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.06
Rot. Bonds3

About 1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56916374) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56916374
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCc1ccc(N2CCC(C(=O)O)(n3cccn3)CC2)nn1
InChIInChI=1S/C14H17N5O2/c1-11-3-4-12(17-16-11)18-9-5-14(6-10-18,13(20)21)19-8-2-7-15-19/h2-4,7-8H,5-6,9-10H2,1H3,(H,20,21)
InChIKeyQYGQXCTXMJEOSX-UHFFFAOYSA-N
XLogP1.06
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-5-methylpyrimidin-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56901181
1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56901457
1,1-dioxo-4-pyrazol-1-ylthiane-4-carboxylic acid
CID 82235434
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 155875641
(3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95896511
3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97385532
(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469671
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 71961267
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
CID 121118902
3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine
CID 89276627

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56916374) is 1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is Cc1ccc(N2CCC(C(=O)O)(n3cccn3)CC2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is QYGQXCTXMJEOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-11-3-4-12(17-16-11)18-9-5-14(6-10-18,13(20)21)19-8-2-7-15-19/h2-4,7-8H,5-6,9-10H2,1H3,(H,20,21).
What are the key properties of 1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56916374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).