N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine

C16H25N5 — CID 104729254

IUPACN-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine
SMILESCCNC(C)C1CCCCN1c1nccn2nc(C)cc12
InChIInChI=1S/C16H25N5/c1-4-17-13(3)14-7-5-6-9-20(14)16-15-11-12(2)19-21(15)10-8-18-16/h8,10-11,13-14,17H,4-7,9H2,1-3H3
InChIKeyBSMFWMDFCRFQQA-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.39
Rot. Bonds4

About N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine

N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine (PubChem CID 104729254) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine
PubChem CID104729254
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine
SMILESCCNC(C)C1CCCCN1c1nccn2nc(C)cc12
InChIInChI=1S/C16H25N5/c1-4-17-13(3)14-7-5-6-9-20(14)16-15-11-12(2)19-21(15)10-8-18-16/h8,10-11,13-14,17H,4-7,9H2,1-3H3
InChIKeyBSMFWMDFCRFQQA-UHFFFAOYSA-N
XLogP2.39
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)ethanamine
CID 104729255
1-ethyl-3-[2-[1-(ethylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63854758
1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone
CID 113446200
N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine
CID 63854921
methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate
CID 104733431
[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride
CID 121020669
N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 104733601
4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 104733828
N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 104605826
N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
CID 65418172
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133490284
[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol
CID 104733050

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine (CID 104729254) is N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine is CCNC(C)C1CCCCN1c1nccn2nc(C)cc12.
What is the InChIKey of N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine?
The InChIKey is BSMFWMDFCRFQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-17-13(3)14-7-5-6-9-20(14)16-15-11-12(2)19-21(15)10-8-18-16/h8,10-11,13-14,17H,4-7,9H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine?
N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 104729254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).