3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide

C15H15N5O2 — CID 130350382

IUPAC3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide
SMILESCOc1cc(C(N)=O)ccc1NCc1cnn2cccnc12
InChIInChI=1S/C15H15N5O2/c1-22-13-7-10(14(16)21)3-4-12(13)18-8-11-9-19-20-6-2-5-17-15(11)20/h2-7,9,18H,8H2,1H3,(H2,16,21)
InChIKeyBKSTVISLQPAHTE-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.45
Rot. Bonds5

About 3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide

3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide (PubChem CID 130350382) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide
PubChem CID130350382
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide
SMILESCOc1cc(C(N)=O)ccc1NCc1cnn2cccnc12
InChIInChI=1S/C15H15N5O2/c1-22-13-7-10(14(16)21)3-4-12(13)18-8-11-9-19-20-6-2-5-17-15(11)20/h2-7,9,18H,8H2,1H3,(H2,16,21)
InChIKeyBKSTVISLQPAHTE-UHFFFAOYSA-N
XLogP1.45
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 91832531
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
CID 79578897
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336
2-methoxy-4-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315302
4-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315130
N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 83873099
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664775
4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
(3R)-3-(4-methoxyphenyl)-3-phenyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 97282762
4-(3,5-dimethylpyrazol-1-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)benzamide
CID 70706606

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide?
The IUPAC name of 3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide (CID 130350382) is 3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide.
What is the SMILES notation for 3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide?
The canonical SMILES for 3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide is COc1cc(C(N)=O)ccc1NCc1cnn2cccnc12.
What is the InChIKey of 3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide?
The InChIKey is BKSTVISLQPAHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-22-13-7-10(14(16)21)3-4-12(13)18-8-11-9-19-20-6-2-5-17-15(11)20/h2-7,9,18H,8H2,1H3,(H2,16,21).
What are the key properties of 3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide?
3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide has a molecular weight of 297.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide is sourced from PubChem (CID 130350382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).