1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine

C14H20N4O — CID 115373012

IUPAC1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine
SMILESNC1(COc2ccn3nccc3n2)CCCCCC1
InChIInChI=1S/C14H20N4O/c15-14(7-3-1-2-4-8-14)11-19-13-6-10-18-12(17-13)5-9-16-18/h5-6,9-10H,1-4,7-8,11,15H2
InChIKeyMLSNTWHBLICQQH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds3

About 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine

1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine (PubChem CID 115373012) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine
PubChem CID115373012
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine
SMILESNC1(COc2ccn3nccc3n2)CCCCCC1
InChIInChI=1S/C14H20N4O/c15-14(7-3-1-2-4-8-14)11-19-13-6-10-18-12(17-13)5-9-16-18/h5-6,9-10H,1-4,7-8,11,15H2
InChIKeyMLSNTWHBLICQQH-UHFFFAOYSA-N
XLogP2.16
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11578061, Example 3
CID 165385508
2-Hexoxypyrazolo[1,5-a]pyrimidine
CID 69331124
5-Hexoxypyrazolo[1,5-a]pyrimidine
CID 69331126
2-(8,14-dioxa-11,18,19,22-tetrazatetracyclo[13.5.2.12,7.018,21]tricosa-1(21),15(22),16,19-tetraen-11-yl)-N-methylethanamine
CID 123984215
1-[(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine
CID 64549997
1-[(2-Methylpyrimidin-4-yl)oxymethyl]cycloheptan-1-amine
CID 64550005
1-[(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine
CID 64573617
1-[(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine
CID 64574186
N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine
CID 102634509
4-Pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine
CID 102729364
3-Pyrazolo[1,5-a]pyrimidin-5-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 102930579
5-(4-Methylpiperidin-3-yl)oxypyrazolo[1,5-a]pyrimidine
CID 102954631

Frequently Asked Questions

What is the IUPAC name of 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine (CID 115373012) is 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine is NC1(COc2ccn3nccc3n2)CCCCCC1.
What is the InChIKey of 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine?
The InChIKey is MLSNTWHBLICQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-14(7-3-1-2-4-8-14)11-19-13-6-10-18-12(17-13)5-9-16-18/h5-6,9-10H,1-4,7-8,11,15H2.
What are the key properties of 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine?
1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 115373012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).