[(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C14H19N5O2 — CID 95824421

IUPAC[(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC[C@H](c3cc(CO)[nH]n3)C2)n1
InChIInChI=1S/C14H19N5O2/c1-18-6-4-12(17-18)14(21)19-5-2-3-10(8-19)13-7-11(9-20)15-16-13/h4,6-7,10,20H,2-3,5,8-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyYEEAKHWCSDMVOH-JTQLQIEISA-N
MW289.34 g/mol
LogP0.66
Rot. Bonds3

About [(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 95824421) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID95824421
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC[C@H](c3cc(CO)[nH]n3)C2)n1
InChIInChI=1S/C14H19N5O2/c1-18-6-4-12(17-18)14(21)19-5-2-3-10(8-19)13-7-11(9-20)15-16-13/h4,6-7,10,20H,2-3,5,8-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyYEEAKHWCSDMVOH-JTQLQIEISA-N
XLogP0.66
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110270992
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
N-cyclopentyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 110268886
[3-(bromomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122473
[3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 132765239
(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95828671
(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 164634122
(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841745
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 175652643
[3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110249808
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 95824421) is [(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCC[C@H](c3cc(CO)[nH]n3)C2)n1.
What is the InChIKey of [(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is YEEAKHWCSDMVOH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O2/c1-18-6-4-12(17-18)14(21)19-5-2-3-10(8-19)13-7-11(9-20)15-16-13/h4,6-7,10,20H,2-3,5,8-9H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of [(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 289.34 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 95824421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).