(4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone

C13H22N4O — CID 65358510

IUPAC(4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1nn(CC)cc1N
InChIInChI=1S/C13H22N4O/c1-3-10-7-5-6-8-17(10)13(18)12-11(14)9-16(4-2)15-12/h9-10H,3-8,14H2,1-2H3
InChIKeyTVSIGHGCHARJID-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.89
Rot. Bonds3

About (4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone

(4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 65358510) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID65358510
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1nn(CC)cc1N
InChIInChI=1S/C13H22N4O/c1-3-10-7-5-6-8-17(10)13(18)12-11(14)9-16(4-2)15-12/h9-10H,3-8,14H2,1-2H3
InChIKeyTVSIGHGCHARJID-UHFFFAOYSA-N
XLogP1.89
TPSA64.15 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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 65357847
(4-amino-1-ethylpyrazol-3-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65357930
(4-amino-1-methylpyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633791
(4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 65358418
3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 53270959
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 61095162
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 60905246
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 82344192
(5-amino-2,4-difluorophenyl)-(2-ethylazepan-1-yl)methanone
CID 104688589

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone (CID 65358510) is (4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1nn(CC)cc1N.
What is the InChIKey of (4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is TVSIGHGCHARJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-10-7-5-6-8-17(10)13(18)12-11(14)9-16(4-2)15-12/h9-10H,3-8,14H2,1-2H3.
What are the key properties of (4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone?
(4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 65358510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).