(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine

C14H21N5 — CID 56907968

IUPAC(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine
SMILESCC(C)c1cc(N2CCC[C@H](N)C2)n2nccc2n1
InChIInChI=1S/C14H21N5/c1-10(2)12-8-14(18-7-3-4-11(15)9-18)19-13(17-12)5-6-16-19/h5-6,8,10-11H,3-4,7,9,15H2,1-2H3/t11-/m0/s1
InChIKeyRLXJFWLTOYMZIU-NSHDSACASA-N
MW259.36 g/mol
LogP1.78
Rot. Bonds2

About (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine

(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine (PubChem CID 56907968) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine
PubChem CID56907968
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine
SMILESCC(C)c1cc(N2CCC[C@H](N)C2)n2nccc2n1
InChIInChI=1S/C14H21N5/c1-10(2)12-8-14(18-7-3-4-11(15)9-18)19-13(17-12)5-6-16-19/h5-6,8,10-11H,3-4,7,9,15H2,1-2H3/t11-/m0/s1
InChIKeyRLXJFWLTOYMZIU-NSHDSACASA-N
XLogP1.78
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine?
The IUPAC name of (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine (CID 56907968) is (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine is CC(C)c1cc(N2CCC[C@H](N)C2)n2nccc2n1.
What is the InChIKey of (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine?
The InChIKey is RLXJFWLTOYMZIU-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)12-8-14(18-7-3-4-11(15)9-18)19-13(17-12)5-6-16-19/h5-6,8,10-11H,3-4,7,9,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine?
(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine has a molecular weight of 259.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine is sourced from PubChem (CID 56907968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).