N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C12H17N5 — CID 114697366

IUPACN-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC1(Nc2ccn3nccc3n2)CCNCC1
InChIInChI=1S/C12H17N5/c1-12(4-7-13-8-5-12)16-10-3-9-17-11(15-10)2-6-14-17/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,15,16)
InChIKeySDWBBFLZFVQUNP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.28
Rot. Bonds2

About N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 114697366) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID114697366
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC1(Nc2ccn3nccc3n2)CCNCC1
InChIInChI=1S/C12H17N5/c1-12(4-7-13-8-5-12)16-10-3-9-17-11(15-10)2-6-14-17/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,15,16)
InChIKeySDWBBFLZFVQUNP-UHFFFAOYSA-N
XLogP1.28
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 114697366) is N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine is CC1(Nc2ccn3nccc3n2)CCNCC1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is SDWBBFLZFVQUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-12(4-7-13-8-5-12)16-10-3-9-17-11(15-10)2-6-14-17/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 231.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 114697366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).