[4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

C14H20N6O — CID 155957269

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cnn2ccc(C(=O)N3CCN(CCN)CC3)nc12
InChIInChI=1S/C14H20N6O/c1-11-10-16-20-4-2-12(17-13(11)20)14(21)19-8-6-18(5-3-15)7-9-19/h2,4,10H,3,5-9,15H2,1H3
InChIKeyIKBOAQXNKAHBAI-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.25
Rot. Bonds3

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

[4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 155957269) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID155957269
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cnn2ccc(C(=O)N3CCN(CCN)CC3)nc12
InChIInChI=1S/C14H20N6O/c1-11-10-16-20-4-2-12(17-13(11)20)14(21)19-8-6-18(5-3-15)7-9-19/h2,4,10H,3,5-9,15H2,1H3
InChIKeyIKBOAQXNKAHBAI-UHFFFAOYSA-N
XLogP-0.25
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 43251610
[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251608
[4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63049798
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 62515821
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63049975
[4-(2-aminoethyl)piperazin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 66128659
(6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 62239740
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(5-methoxy-2-pyridinyl)methanone
CID 71724969
N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 126776600
[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809897
1-[4-(2-aminoethyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 62538822

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (CID 155957269) is [4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is Cc1cnn2ccc(C(=O)N3CCN(CCN)CC3)nc12.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is IKBOAQXNKAHBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-11-10-16-20-4-2-12(17-13(11)20)14(21)19-8-6-18(5-3-15)7-9-19/h2,4,10H,3,5-9,15H2,1H3.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
[4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperazin-1-yl]-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 155957269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).