N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine

C14H15N5 — CID 115372174

IUPACN-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCN(c1cccc(CN)c1)c1ccn2nccc2n1
InChIInChI=1S/C14H15N5/c1-18(12-4-2-3-11(9-12)10-15)13-6-8-19-14(17-13)5-7-16-19/h2-9H,10,15H2,1H3
InChIKeyFCSLZFHGUAZDRE-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.96
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine

N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372174) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372174
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCN(c1cccc(CN)c1)c1ccn2nccc2n1
InChIInChI=1S/C14H15N5/c1-18(12-4-2-3-11(9-12)10-15)13-6-8-19-14(17-13)5-7-16-19/h2-9H,10,15H2,1H3
InChIKeyFCSLZFHGUAZDRE-UHFFFAOYSA-N
XLogP1.96
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine (CID 115372174) is N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine is CN(c1cccc(CN)c1)c1ccn2nccc2n1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is FCSLZFHGUAZDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-18(12-4-2-3-11(9-12)10-15)13-6-8-19-14(17-13)5-7-16-19/h2-9H,10,15H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 253.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).