(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C12H20N4O — CID 65354702

IUPAC(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2nn(C)cc2N)C1
InChIInChI=1S/C12H20N4O/c1-8-4-9(2)6-16(5-8)12(17)11-10(13)7-15(3)14-11/h7-9H,4-6,13H2,1-3H3
InChIKeyICPKYOABRKSVST-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.12
Rot. Bonds1

About (4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 65354702) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID65354702
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2nn(C)cc2N)C1
InChIInChI=1S/C12H20N4O/c1-8-4-9(2)6-16(5-8)12(17)11-10(13)7-15(3)14-11/h7-9H,4-6,13H2,1-3H3
InChIKeyICPKYOABRKSVST-UHFFFAOYSA-N
XLogP1.12
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107211043
(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 65355642
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 903263
(4-amino-1-methylpyrazol-3-yl)-(azocan-1-yl)methanone
CID 65354711
(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209806
(4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 65353954
[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 126838407
(4-amino-1-methylpyrazol-3-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65354317
(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 65354873
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 40805287
4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65355546
methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 65354248

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 65354702) is (4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2nn(C)cc2N)C1.
What is the InChIKey of (4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is ICPKYOABRKSVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-4-9(2)6-16(5-8)12(17)11-10(13)7-15(3)14-11/h7-9H,4-6,13H2,1-3H3.
What are the key properties of (4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 65354702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).