(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

C12H19N3O2 — CID 114669670

IUPAC(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1CCCCC1N
InChIInChI=1S/C12H19N3O2/c1-15-11(10(17-2)7-14-15)12(16)8-5-3-4-6-9(8)13/h7-9H,3-6,13H2,1-2H3
InChIKeyWRSBVDINMLWSGS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.13
Rot. Bonds3

About (2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 114669670) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID114669670
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)C1CCCCC1N
InChIInChI=1S/C12H19N3O2/c1-15-11(10(17-2)7-14-15)12(16)8-5-3-4-6-9(8)13/h7-9H,3-6,13H2,1-2H3
InChIKeyWRSBVDINMLWSGS-UHFFFAOYSA-N
XLogP1.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809603
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809701
(4-methoxy-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641814
(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone
CID 114639658
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
(2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464163
(4-methoxy-1-methylpyrazol-5-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114668702
(2-aminocyclohexyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669674
(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114670428

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 114669670) is (2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is COc1cnn(C)c1C(=O)C1CCCCC1N.
What is the InChIKey of (2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is WRSBVDINMLWSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-11(10(17-2)7-14-15)12(16)8-5-3-4-6-9(8)13/h7-9H,3-6,13H2,1-2H3.
What are the key properties of (2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 114669670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).