[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate

C17H22N4O2 — CID 140609217

IUPAC[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate
SMILESCn1nc(C2CCCCN2OC(=O)Cc2ccccc2)cc1N
InChIInChI=1S/C17H22N4O2/c1-20-16(18)12-14(19-20)15-9-5-6-10-21(15)23-17(22)11-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11,18H2,1H3
InChIKeyKTXDKFXLPWTYOU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.23
Rot. Bonds4

About [2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate

[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate (PubChem CID 140609217) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate
PubChem CID140609217
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate
SMILESCn1nc(C2CCCCN2OC(=O)Cc2ccccc2)cc1N
InChIInChI=1S/C17H22N4O2/c1-20-16(18)12-14(19-20)15-9-5-6-10-21(15)23-17(22)11-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11,18H2,1H3
InChIKeyKTXDKFXLPWTYOU-UHFFFAOYSA-N
XLogP2.23
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-Methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid
CID 89482602
1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid
CID 89482782
1-Methyl-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid
CID 89482799
[[2-(5-Amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate
CID 89482800
2-(1-methyl-5-amino-1H-pyrazol-3-yl)piperidine 1-benzyl Formate
CID 89482802
[2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidin-1-yl] benzoate
CID 123617274
1-(1-Phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine
CID 129033547
3-methyl-1-piperidin-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one;2-phenylacetic acid
CID 136613165
[(2R)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidin-1-yl] 2-phenylacetate
CID 140609218
[2-[5-Amino-1-(1-methylcyclohex-3-en-1-yl)pyrazol-3-yl]piperidin-1-yl] 2-phenylacetate
CID 140609221
Benzyl 2-(5-amino-1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 141364643
ethyl (3E,5Z)-7-(5-amino-3-phenylpyrazol-1-yl)-3-methylhepta-3,5-dienoate
CID 143256347

Frequently Asked Questions

What is the IUPAC name of [2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate?
The IUPAC name of [2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate (CID 140609217) is [2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate.
What is the SMILES notation for [2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate?
The canonical SMILES for [2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate is Cn1nc(C2CCCCN2OC(=O)Cc2ccccc2)cc1N.
What is the InChIKey of [2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate?
The InChIKey is KTXDKFXLPWTYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-16(18)12-14(19-20)15-9-5-6-10-21(15)23-17(22)11-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11,18H2,1H3.
What are the key properties of [2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate?
[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate has a molecular weight of 314.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl] 2-phenylacetate is sourced from PubChem (CID 140609217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).