[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C13H23N5O — CID 43251610

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C13H23N5O/c1-10-12(11(2)16(3)15-10)13(19)18-8-6-17(5-4-14)7-9-18/h4-9,14H2,1-3H3
InChIKeyXENSPMLNBFHKEJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.25
Rot. Bonds3

About [4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 43251610) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID43251610
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C13H23N5O/c1-10-12(11(2)16(3)15-10)13(19)18-8-6-17(5-4-14)7-9-18/h4-9,14H2,1-3H3
InChIKeyXENSPMLNBFHKEJ-UHFFFAOYSA-N
XLogP-0.25
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
CID 77011990
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 121184183
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 19331879
(4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 33168964
[4-(2-aminoethyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151721
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 94575589
[3-(2-aminoethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone;hydrochloride
CID 120727697
[4-methyl-4-(methylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 115304418
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 71983988
[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484
[4-(2-chloroethoxy)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 82701236

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 43251610) is [4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCN(CCN)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is XENSPMLNBFHKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-12(11(2)16(3)15-10)13(19)18-8-6-17(5-4-14)7-9-18/h4-9,14H2,1-3H3.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 43251610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).