N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C14H12N4O2 — CID 115372431

IUPACN-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc(CNc2ccn3nccc3n2)c2c(c1)OCO2
InChIInChI=1S/C14H12N4O2/c1-2-10(14-11(3-1)19-9-20-14)8-15-12-5-7-18-13(17-12)4-6-16-18/h1-7H,8-9H2,(H,15,17)
InChIKeyIDKQIGZNQYUSOL-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.07
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372431) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372431
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc(CNc2ccn3nccc3n2)c2c(c1)OCO2
InChIInChI=1S/C14H12N4O2/c1-2-10(14-11(3-1)19-9-20-14)8-15-12-5-7-18-13(17-12)4-6-16-18/h1-7H,8-9H2,(H,15,17)
InChIKeyIDKQIGZNQYUSOL-UHFFFAOYSA-N
XLogP2.07
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372598
N-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296642
N-(quinolin-8-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372657
N-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372377
N-[(5-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372443
(2S,3S)-N-(1,3-benzodioxol-4-ylmethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95276384
N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372482
N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372312
N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372581
N-(1,3-benzodioxol-4-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114383227
N-[(3-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115373284
N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine
CID 61242269

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 115372431) is N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1cc(CNc2ccn3nccc3n2)c2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is IDKQIGZNQYUSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-2-10(14-11(3-1)19-9-20-14)8-15-12-5-7-18-13(17-12)4-6-16-18/h1-7H,8-9H2,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 268.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).