5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

C12H19N5O2 — CID 138036938

IUPAC5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N[C@H]2CCCNC2=O)c1N
InChIInChI=1S/C12H19N5O2/c1-7(2)17-10(13)8(6-15-17)11(18)16-9-4-3-5-14-12(9)19/h6-7,9H,3-5,13H2,1-2H3,(H,14,19)(H,16,18)/t9-/m0/s1
InChIKeyFJHUPTMRSFBZIW-VIFPVBQESA-N
MW265.32 g/mol
LogP0.05
Rot. Bonds3

About 5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 138036938) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID138036938
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N[C@H]2CCCNC2=O)c1N
InChIInChI=1S/C12H19N5O2/c1-7(2)17-10(13)8(6-15-17)11(18)16-9-4-3-5-14-12(9)19/h6-7,9H,3-5,13H2,1-2H3,(H,14,19)(H,16,18)/t9-/m0/s1
InChIKeyFJHUPTMRSFBZIW-VIFPVBQESA-N
XLogP0.05
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pde9-IN-1
CID 137700754
1-Tert-butyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinone
CID 7118692
2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-cyclohexylacetamide
CID 3245013
1-cyclopentyl-6-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155510637
1-cyclopentyl-6-[[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155521088
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N,N-dimethylpropanamide
CID 155523485
1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155525884
1-cyclopentyl-6-[[(2R)-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155531325
1-cyclopentyl-6-[[(2R)-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155539455
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 155548362
(2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide
CID 155559756
6-[[(2R)-1-(4-chloropiperidin-1-yl)-1-oxopropan-2-yl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166625891

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 138036938) is 5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1ncc(C(=O)N[C@H]2CCCNC2=O)c1N.
What is the InChIKey of 5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is FJHUPTMRSFBZIW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N5O2/c1-7(2)17-10(13)8(6-15-17)11(18)16-9-4-3-5-14-12(9)19/h6-7,9H,3-5,13H2,1-2H3,(H,14,19)(H,16,18)/t9-/m0/s1.
What are the key properties of 5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3S)-2-oxopiperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 138036938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).