(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone

C13H22N4O — CID 60818934

IUPAC(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
SMILESCCNC1CCN(C(=O)c2cnn(C)c2C)CC1
InChIInChI=1S/C13H22N4O/c1-4-14-11-5-7-17(8-6-11)13(18)12-9-15-16(3)10(12)2/h9,11,14H,4-8H2,1-3H3
InChIKeyMUBYWNWMGSQMFC-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.94
Rot. Bonds3

About (1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone (PubChem CID 60818934) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
PubChem CID60818934
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
SMILESCCNC1CCN(C(=O)c2cnn(C)c2C)CC1
InChIInChI=1S/C13H22N4O/c1-4-14-11-5-7-17(8-6-11)13(18)12-9-15-16(3)10(12)2/h9,11,14H,4-8H2,1-3H3
InChIKeyMUBYWNWMGSQMFC-UHFFFAOYSA-N
XLogP0.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 114506616
(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135112462
(1-tert-butyl-5-methylpyrazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119621751
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 114267680
[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107670477
[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 47136455
N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 81482919
[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050
(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 80659902

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone (CID 60818934) is (1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone is CCNC1CCN(C(=O)c2cnn(C)c2C)CC1.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone?
The InChIKey is MUBYWNWMGSQMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-11-5-7-17(8-6-11)13(18)12-9-15-16(3)10(12)2/h9,11,14H,4-8H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone has a molecular weight of 250.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 60818934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).