[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C13H17N5O2 — CID 107109147

IUPAC[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C13H17N5O2/c1-9-11(8-15-20-9)13(19)17-5-2-10(3-6-17)18-7-4-12(14)16-18/h4,7-8,10H,2-3,5-6H2,1H3,(H2,14,16)
InChIKeyFVTAWKDGPKXVFS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.24
Rot. Bonds2

About [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 107109147) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID107109147
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C13H17N5O2/c1-9-11(8-15-20-9)13(19)17-5-2-10(3-6-17)18-7-4-12(14)16-18/h4,7-8,10H,2-3,5-6H2,1H3,(H2,14,16)
InChIKeyFVTAWKDGPKXVFS-UHFFFAOYSA-N
XLogP1.24
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107175008
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
CID 107108689
(3-aminoazetidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 65244931
4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 107109443
(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 79868336
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 115307102
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 107108777
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone
CID 107109068
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334399
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 107109025

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 107109147) is [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CCC(n2ccc(N)n2)CC1.
What is the InChIKey of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is FVTAWKDGPKXVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-11(8-15-20-9)13(19)17-5-2-10(3-6-17)18-7-4-12(14)16-18/h4,7-8,10H,2-3,5-6H2,1H3,(H2,14,16).
What are the key properties of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 275.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 107109147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).