N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine

C14H21N5 — CID 115371982

IUPACN-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine
SMILESCNC(C)C1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C14H21N5/c1-11(15-2)12-4-8-18(9-5-12)13-6-10-19-14(17-13)3-7-16-19/h3,6-7,10-12,15H,4-5,8-9H2,1-2H3
InChIKeyDWJJSKAWYKQZSL-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.55
Rot. Bonds3

About N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine

N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine (PubChem CID 115371982) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine
PubChem CID115371982
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine
SMILESCNC(C)C1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C14H21N5/c1-11(15-2)12-4-8-18(9-5-12)13-6-10-19-14(17-13)3-7-16-19/h3,6-7,10-12,15H,4-5,8-9H2,1-2H3
InChIKeyDWJJSKAWYKQZSL-UHFFFAOYSA-N
XLogP1.55
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855
5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
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-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-amine
CID 115372770
N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 163356400
1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one
CID 115372220
N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine
CID 63854224
1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
CID 163343809
2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)butan-1-amine
CID 115372177
N-methyl-1-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 63853355
1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 171996296

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine (CID 115371982) is N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine is CNC(C)C1CCN(c2ccn3nccc3n2)CC1.
What is the InChIKey of N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine?
The InChIKey is DWJJSKAWYKQZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(15-2)12-4-8-18(9-5-12)13-6-10-19-14(17-13)3-7-16-19/h3,6-7,10-12,15H,4-5,8-9H2,1-2H3.
What are the key properties of N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine?
N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 115371982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).