(5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C12H20N4O — CID 114594553

IUPAC(5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cn[nH]c2N)C1
InChIInChI=1S/C12H20N4O/c1-7-4-8(2)9(3)16(6-7)12(17)10-5-14-15-11(10)13/h5,7-9H,4,6H2,1-3H3,(H3,13,14,15)
InChIKeyRDWXVGHBMYEDNW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.50
Rot. Bonds1

About (5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114594553) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114594553
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cn[nH]c2N)C1
InChIInChI=1S/C12H20N4O/c1-7-4-8(2)9(3)16(6-7)12(17)10-5-14-15-11(10)13/h5,7-9H,4,6H2,1-3H3,(H3,13,14,15)
InChIKeyRDWXVGHBMYEDNW-UHFFFAOYSA-N
XLogP1.50
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591779
(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591834
(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959820
(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591861
(5-amino-1H-pyrazol-4-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102885522
(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596633
[6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596554
(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593572
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-amino-1H-pyrazol-4-yl)methanone
CID 82750781
(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107689677
(5-ethyl-1H-1,2,4-triazol-3-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114594632
(2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593396

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114594553) is (5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2cn[nH]c2N)C1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is RDWXVGHBMYEDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7-4-8(2)9(3)16(6-7)12(17)10-5-14-15-11(10)13/h5,7-9H,4,6H2,1-3H3,(H3,13,14,15).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114594553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).