N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine

C14H21N5 — CID 115373034

IUPACN-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine
SMILESCCNCC1CCCCN1c1ccn2nccc2n1
InChIInChI=1S/C14H21N5/c1-2-15-11-12-5-3-4-9-18(12)13-7-10-19-14(17-13)6-8-16-19/h6-8,10,12,15H,2-5,9,11H2,1H3
InChIKeyRJTMYNSJTBHSKI-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.70
Rot. Bonds4

About N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine

N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine (PubChem CID 115373034) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine
PubChem CID115373034
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine
SMILESCCNCC1CCCCN1c1ccn2nccc2n1
InChIInChI=1S/C14H21N5/c1-2-15-11-12-5-3-4-9-18(12)13-7-10-19-14(17-13)6-8-16-19/h6-8,10,12,15H,2-5,9,11H2,1H3
InChIKeyRJTMYNSJTBHSKI-UHFFFAOYSA-N
XLogP1.70
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(5-methyl-2-pyridinyl)piperidin-2-yl]methyl]ethanamine
CID 62593584
N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine
CID 55090959
N-[[1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
CID 66332722
N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
CID 66318799
N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 55220183
N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62592710
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62580932
N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 115373022
ethyl 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylate
CID 115372977
4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
CID 114427477
6-[2-(ethylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284428
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63855104

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine (CID 115373034) is N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine is CCNCC1CCCCN1c1ccn2nccc2n1.
What is the InChIKey of N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine?
The InChIKey is RJTMYNSJTBHSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-15-11-12-5-3-4-9-18(12)13-7-10-19-14(17-13)6-8-16-19/h6-8,10,12,15H,2-5,9,11H2,1H3.
What are the key properties of N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine?
N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 115373034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).