(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone

C12H20N4O — CID 65359976

IUPAC(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2c(N)cnn2C)CC1
InChIInChI=1S/C12H20N4O/c1-3-9-4-6-16(7-5-9)12(17)11-10(13)8-14-15(11)2/h8-9H,3-7,13H2,1-2H3
InChIKeyRYNMNRWOTHGLBN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.26
Rot. Bonds2

About (4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone

(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 65359976) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID65359976
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2c(N)cnn2C)CC1
InChIInChI=1S/C12H20N4O/c1-3-9-4-6-16(7-5-9)12(17)11-10(13)8-14-15(11)2/h8-9H,3-7,13H2,1-2H3
InChIKeyRYNMNRWOTHGLBN-UHFFFAOYSA-N
XLogP1.26
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-methylpyrazol-5-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 65359734
(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236470
N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 65359684
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 65359274
(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 65355801
(4-amino-1-methylpyrazol-5-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 65359569
(4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210607
(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 65359335
(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone
CID 61421520
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210694
(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 65356023
(4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966891

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone (CID 65359976) is (4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)c2c(N)cnn2C)CC1.
What is the InChIKey of (4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is RYNMNRWOTHGLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-9-4-6-16(7-5-9)12(17)11-10(13)8-14-15(11)2/h8-9H,3-7,13H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone?
(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 65359976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).