[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine

C14H21N5 — CID 56888286

IUPAC[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine
SMILESCCCc1cc(N2CCC(CN)C2)n2nccc2n1
InChIInChI=1S/C14H21N5/c1-2-3-12-8-14(18-7-5-11(9-15)10-18)19-13(17-12)4-6-16-19/h4,6,8,11H,2-3,5,7,9-10,15H2,1H3
InChIKeyBLRQQTJIBPYHNT-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.47
Rot. Bonds4

About [1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine

[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine (PubChem CID 56888286) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is [1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine
PubChem CID56888286
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine
SMILESCCCc1cc(N2CCC(CN)C2)n2nccc2n1
InChIInChI=1S/C14H21N5/c1-2-3-12-8-14(18-7-5-11(9-15)10-18)19-13(17-12)4-6-16-19/h4,6,8,11H,2-3,5,7,9-10,15H2,1H3
InChIKeyBLRQQTJIBPYHNT-UHFFFAOYSA-N
XLogP1.47
TPSA59.45 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine (CID 56888286) is [1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine is CCCc1cc(N2CCC(CN)C2)n2nccc2n1.
What is the InChIKey of [1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is BLRQQTJIBPYHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-3-12-8-14(18-7-5-11(9-15)10-18)19-13(17-12)4-6-16-19/h4,6,8,11H,2-3,5,7,9-10,15H2,1H3.
What are the key properties of [1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine?
[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 259.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 56888286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).