(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone

C13H22N4O — CID 79994530

IUPAC(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C13H22N4O/c1-4-17-12(6-10(3)15-17)13(18)16-7-9(2)5-11(14)8-16/h6,9,11H,4-5,7-8,14H2,1-3H3
InChIKeyCAHYQNNQAMMKLS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.02
Rot. Bonds2

About (3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone

(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 79994530) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID79994530
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C13H22N4O/c1-4-17-12(6-10(3)15-17)13(18)16-7-9(2)5-11(14)8-16/h6,9,11H,4-5,7-8,14H2,1-3H3
InChIKeyCAHYQNNQAMMKLS-UHFFFAOYSA-N
XLogP1.02
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-methylpyrrolidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 103575707
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 66121470
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 115491804
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77113272
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615523
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
CID 64867620
[4-(2-aminoethyl)piperazin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 66128659
(3-amino-5-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671650
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 79994530) is (3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)N1CC(C)CC(N)C1.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is CAHYQNNQAMMKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17-12(6-10(3)15-17)13(18)16-7-9(2)5-11(14)8-16/h6,9,11H,4-5,7-8,14H2,1-3H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 79994530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).