N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C24H24N4O3 — CID 59662514

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(C(C)C)cc1-c1cnn2ccc(NCc3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C24H24N4O3/c1-15(2)17-5-7-20(29-3)18(11-17)19-13-26-28-9-8-23(27-24(19)28)25-12-16-4-6-21-22(10-16)31-14-30-21/h4-11,13,15H,12,14H2,1-3H3,(H,25,27)
InChIKeyHABDAEUIXBKQOB-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.87
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662514) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662514
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(C(C)C)cc1-c1cnn2ccc(NCc3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C24H24N4O3/c1-15(2)17-5-7-20(29-3)18(11-17)19-13-26-28-9-8-23(27-24(19)28)25-12-16-4-6-21-22(10-16)31-14-30-21/h4-11,13,15H,12,14H2,1-3H3,(H,25,27)
InChIKeyHABDAEUIXBKQOB-UHFFFAOYSA-N
XLogP4.87
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 69008138
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860350
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 110769403
3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155538203
1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166167
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918738
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918295
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112951437
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine
CID 82456598
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940489
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-5-methylaniline
CID 2853674
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112918781

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 59662514) is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(C(C)C)cc1-c1cnn2ccc(NCc3ccc4c(c3)OCO4)nc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is HABDAEUIXBKQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15(2)17-5-7-20(29-3)18(11-17)19-13-26-28-9-8-23(27-24(19)28)25-12-16-4-6-21-22(10-16)31-14-30-21/h4-11,13,15H,12,14H2,1-3H3,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 416.48 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-5-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).