4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide

C15H15N5O — CID 62402815

IUPAC4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide
SMILESCc1cc2ncc(CNc3ccc(C(N)=O)cc3)cn2n1
InChIInChI=1S/C15H15N5O/c1-10-6-14-18-8-11(9-20(14)19-10)7-17-13-4-2-12(3-5-13)15(16)21/h2-6,8-9,17H,7H2,1H3,(H2,16,21)
InChIKeyQNKZLONXGMBETM-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.75
Rot. Bonds4

About 4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide

4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide (PubChem CID 62402815) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide
PubChem CID62402815
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide
SMILESCc1cc2ncc(CNc3ccc(C(N)=O)cc3)cn2n1
InChIInChI=1S/C15H15N5O/c1-10-6-14-18-8-11(9-20(14)19-10)7-17-13-4-2-12(3-5-13)15(16)21/h2-6,8-9,17H,7H2,1H3,(H2,16,21)
InChIKeyQNKZLONXGMBETM-UHFFFAOYSA-N
XLogP1.75
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403164
2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55234828
2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetamide
CID 62404238
2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403520
5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934149
[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]phenyl]methanol
CID 63783870
2,4,5-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 63783538
2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403159
3-bromo-5-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 82860198
N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 115600363
5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 63782333
3-ethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-3-amine
CID 65039866

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide?
The IUPAC name of 4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide (CID 62402815) is 4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide.
What is the SMILES notation for 4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide?
The canonical SMILES for 4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide is Cc1cc2ncc(CNc3ccc(C(N)=O)cc3)cn2n1.
What is the InChIKey of 4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide?
The InChIKey is QNKZLONXGMBETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-6-14-18-8-11(9-20(14)19-10)7-17-13-4-2-12(3-5-13)15(16)21/h2-6,8-9,17H,7H2,1H3,(H2,16,21).
What are the key properties of 4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide?
4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide has a molecular weight of 281.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide is sourced from PubChem (CID 62402815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).